N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine

C20H39N — CID 63508059

IUPACN-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CC2CCCC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H39N/c1-16(2)21-15-20(14-17-8-6-7-9-17)12-10-18(11-13-20)19(3,4)5/h16-18,21H,6-15H2,1-5H3
InChIKeySXUIDWRMKHMVOO-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.79
Rot. Bonds5

About N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine

N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 63508059) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID63508059
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CC2CCCC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H39N/c1-16(2)21-15-20(14-17-8-6-7-9-17)12-10-18(11-13-20)19(3,4)5/h16-18,21H,6-15H2,1-5H3
InChIKeySXUIDWRMKHMVOO-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63508585
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-1-amine
CID 63509617
N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 63508058
N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 115979418
N-[[1-(cyclopentylmethyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196171
N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine
CID 63475880
1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
CID 55196231
(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
CID 104575229
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine
CID 62108572
(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
CID 104575232
N-[[1-(cyclopentylmethyl)cyclohexyl]methyl]ethanamine
CID 63507298

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine (CID 63508059) is N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(CC2CCCC2)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is SXUIDWRMKHMVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-16(2)21-15-20(14-17-8-6-7-9-17)12-10-18(11-13-20)19(3,4)5/h16-18,21H,6-15H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine?
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 293.54 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63508059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).