N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine

C18H33N — CID 79562942

IUPACN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CC2CC3CCC2C3)CCCCC1
InChIInChI=1S/C18H33N/c1-2-10-19-14-18(8-4-3-5-9-18)13-17-12-15-6-7-16(17)11-15/h15-17,19H,2-14H2,1H3
InChIKeyVWZFCVMDRMBNPC-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.76
Rot. Bonds6

About N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine

N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 79562942) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID79562942
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CC2CC3CCC2C3)CCCCC1
InChIInChI=1S/C18H33N/c1-2-10-19-14-18(8-4-3-5-9-18)13-17-12-15-6-7-16(17)11-15/h15-17,19H,2-14H2,1H3
InChIKeyVWZFCVMDRMBNPC-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 79562303
2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane
CID 79550198
[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416
1-(2-bicyclo[2.2.1]heptanyl)-3-(propylamino)propan-2-one
CID 116562735
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
CID 82933014
[1-(2-bicyclo[2.2.1]heptanylmethyl)-4-ethylcyclohexyl]methanamine
CID 79550992
2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62272082
N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 103984489
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine (CID 79562942) is N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1(CC2CC3CCC2C3)CCCCC1.
What is the InChIKey of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is VWZFCVMDRMBNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-2-10-19-14-18(8-4-3-5-9-18)13-17-12-15-6-7-16(17)11-15/h15-17,19H,2-14H2,1H3.
What are the key properties of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine?
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 263.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 79562942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).