N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine

C18H33N — CID 79562303

IUPACN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CC2CC3CCC2C3)CCCC1
InChIInChI=1S/C18H33N/c1-14(2)12-19-13-18(7-3-4-8-18)11-17-10-15-5-6-16(17)9-15/h14-17,19H,3-13H2,1-2H3
InChIKeyBUVGHKARXZQDRK-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.62
Rot. Bonds6

About N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 79562303) 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)cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID79562303
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CC2CC3CCC2C3)CCCC1
InChIInChI=1S/C18H33N/c1-14(2)12-19-13-18(7-3-4-8-18)11-17-10-15-5-6-16(17)9-15/h14-17,19H,3-13H2,1-2H3
InChIKeyBUVGHKARXZQDRK-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclohexyl]methyl]propan-1-amine
CID 79562942
N-[[1-(cyclopentylmethyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196171
[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane
CID 79550198
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405492
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170
N,4-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63495608
5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79606979
2-[cyclopropyl-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]amino]ethanol
CID 62270783
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62860855

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine (CID 79562303) is N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(CC2CC3CCC2C3)CCCC1.
What is the InChIKey of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BUVGHKARXZQDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-14(2)12-19-13-18(7-3-4-8-18)11-17-10-15-5-6-16(17)9-15/h14-17,19H,3-13H2,1-2H3.
What are the key properties of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 263.47 g/mol, XLogP of 4.62, 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)cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79562303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).