N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine

C20H32N4 — CID 67087618

IUPACN-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCN1CCN(c2ccnc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)c2)CC1
InChIInChI=1S/C20H32N4/c1-20(2)16-5-4-15(18(20)12-16)14-22-19-13-17(6-7-21-19)24-10-8-23(3)9-11-24/h6-7,13,15-16,18H,4-5,8-12,14H2,1-3H3,(H,21,22)/t15-,16+,18-/m1/s1
InChIKeyDVQFUGNOIPFJGD-SOLBZPMBSA-N
MW328.50 g/mol
LogP3.32
Rot. Bonds4

About N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine

N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine (PubChem CID 67087618) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine
PubChem CID67087618
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC NameN-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCN1CCN(c2ccnc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)c2)CC1
InChIInChI=1S/C20H32N4/c1-20(2)16-5-4-15(18(20)12-16)14-22-19-13-17(6-7-21-19)24-10-8-23(3)9-11-24/h6-7,13,15-16,18H,4-5,8-12,14H2,1-3H3,(H,21,22)/t15-,16+,18-/m1/s1
InChIKeyDVQFUGNOIPFJGD-SOLBZPMBSA-N
XLogP3.32
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 67087592
4-(4-methylpiperazin-1-yl)-N-[(1S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
CID 58227229
N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-5-[3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 67087715
N-ethyl-4-(4-ethylpiperazin-1-yl)pyridin-2-amine
CID 113367464
4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine
CID 113367796
4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine
CID 76709089
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 58227290
N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75047936
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
CID 67087675
4-[(3S)-3-aminopyrrolidin-1-yl]-N-[(1S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
CID 66815761
N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547276
3-[4-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methylcarbamoyl]piperidin-1-yl]benzoic acid;hydrochloride
CID 50917224

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine (CID 67087618) is N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine is CN1CCN(c2ccnc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)c2)CC1.
What is the InChIKey of N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is DVQFUGNOIPFJGD-SOLBZPMBSA-N. The full InChI is InChI=1S/C20H32N4/c1-20(2)16-5-4-15(18(20)12-16)14-22-19-13-17(6-7-21-19)24-10-8-23(3)9-11-24/h6-7,13,15-16,18H,4-5,8-12,14H2,1-3H3,(H,21,22)/t15-,16+,18-/m1/s1.
What are the key properties of N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine?
N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 328.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 67087618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).