3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine

C16H30N2 — CID 63681876

IUPAC3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
SMILESCC(CCNC1CC1)N(C)CC1CC2CCC1C2
InChIInChI=1S/C16H30N2/c1-12(7-8-17-16-5-6-16)18(2)11-15-10-13-3-4-14(15)9-13/h12-17H,3-11H2,1-2H3
InChIKeyGVMHTOJLAPDJDW-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.88
Rot. Bonds7

About 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine

3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine (PubChem CID 63681876) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
PubChem CID63681876
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
SMILESCC(CCNC1CC1)N(C)CC1CC2CCC1C2
InChIInChI=1S/C16H30N2/c1-12(7-8-17-16-5-6-16)18(2)11-15-10-13-3-4-14(15)9-13/h12-17H,3-11H2,1-2H3
InChIKeyGVMHTOJLAPDJDW-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine 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

3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63681872
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
CID 63682552
1-N-cyclopropyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]butane-1,3-diamine
CID 63865613
1-N-cyclopropyl-3-N-methyl-3-N-propylbutane-1,3-diamine
CID 62418497
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 63682556
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine
CID 55231633
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
CID 81074188
ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
CID 63683321
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
CID 63683483
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727728

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine (CID 63681876) is 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine is CC(CCNC1CC1)N(C)CC1CC2CCC1C2.
What is the InChIKey of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine?
The InChIKey is GVMHTOJLAPDJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12(7-8-17-16-5-6-16)18(2)11-15-10-13-3-4-14(15)9-13/h12-17H,3-11H2,1-2H3.
What are the key properties of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine?
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine has a molecular weight of 250.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 63681876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).