1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine

C16H30N2 — CID 113302646

IUPAC1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
SMILESCN1CCC(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1
InChIInChI=1S/C16H30N2/c1-15(2)12-5-8-16(3,11-12)14(15)17-13-6-9-18(4)10-7-13/h12-14,17H,5-11H2,1-4H3/t12-,14?,16+/m0/s1
InChIKeyKKXWZZUCLOLOCW-RAAOQPIXSA-N
MW250.43 g/mol
LogP2.88
Rot. Bonds2

About 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine

1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine (PubChem CID 113302646) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
PubChem CID113302646
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
SMILESCN1CCC(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1
InChIInChI=1S/C16H30N2/c1-15(2)12-5-8-16(3,11-12)14(15)17-13-6-9-18(4)10-7-13/h12-14,17H,5-11H2,1-4H3/t12-,14?,16+/m0/s1
InChIKeyKKXWZZUCLOLOCW-RAAOQPIXSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine with MolForge

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Related Compounds

1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine
CID 113302649
(1R,4S)-N-(3-methoxycyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114118896
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364631
(1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 115400409
[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]cyclopentyl]methanol
CID 103829321
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 64851744
N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
CID 115400247
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine (CID 113302646) is 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine is CN1CCC(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1.
What is the InChIKey of 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
The InChIKey is KKXWZZUCLOLOCW-RAAOQPIXSA-N. The full InChI is InChI=1S/C16H30N2/c1-15(2)12-5-8-16(3,11-12)14(15)17-13-6-9-18(4)10-7-13/h12-14,17H,5-11H2,1-4H3/t12-,14?,16+/m0/s1.
What are the key properties of 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine?
1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine has a molecular weight of 250.43 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine is sourced from PubChem (CID 113302646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).