N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine

C20H37N — CID 81026249

IUPACN-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1CC1CC2CCC1C2
InChIInChI=1S/C20H37N/c1-4-21-13-18-8-7-16(14(2)3)11-20(18)12-19-10-15-5-6-17(19)9-15/h14-21H,4-13H2,1-3H3
InChIKeyIZPWIFWPVAKNHM-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.11
Rot. Bonds6

About N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine

N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine (PubChem CID 81026249) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
PubChem CID81026249
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC NameN-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1CC1CC2CCC1C2
InChIInChI=1S/C20H37N/c1-4-21-13-18-8-7-16(14(2)3)11-20(18)12-19-10-15-5-6-17(19)9-15/h14-21H,4-13H2,1-3H3
InChIKeyIZPWIFWPVAKNHM-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029843
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]bicyclo[2.2.1]heptane
CID 79561514
N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029701
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutyl]-N-methylmethanamine
CID 81017377
N-[(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 81030000
N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026255
N-[(2-pent-4-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 113374690
N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81029704
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232617
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151
N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
CID 81029489

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine (CID 81026249) is N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C(C)C)CC1CC1CC2CCC1C2.
What is the InChIKey of N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The InChIKey is IZPWIFWPVAKNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-4-21-13-18-8-7-16(14(2)3)11-20(18)12-19-10-15-5-6-17(19)9-15/h14-21H,4-13H2,1-3H3.
What are the key properties of N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine has a molecular weight of 291.52 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81026249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).