N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine

C18H36N2 — CID 63493866

IUPACN,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
SMILESCC1CCCC(N(C)CC2(CNC(C)C)CCCC2)C1
InChIInChI=1S/C18H36N2/c1-15(2)19-13-18(10-5-6-11-18)14-20(4)17-9-7-8-16(3)12-17/h15-17,19H,5-14H2,1-4H3
InChIKeyXRKIKHKPXTYUSF-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds6

About N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine

N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine (PubChem CID 63493866) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
PubChem CID63493866
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
SMILESCC1CCCC(N(C)CC2(CNC(C)C)CCCC2)C1
InChIInChI=1S/C18H36N2/c1-15(2)19-13-18(10-5-6-11-18)14-20(4)17-9-7-8-16(3)12-17/h15-17,19H,5-14H2,1-4H3
InChIKeyXRKIKHKPXTYUSF-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]cyclohexan-1-amine
CID 63495234
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62256264
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 63493493
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine
CID 62258238
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62392028
N-[(3-ethylpiperidin-3-yl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 63132931
N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine
CID 62391845
N,4-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63495608
N,2-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]oxolan-3-amine
CID 82743845
N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62258330
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
CID 102871050

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine?
The IUPAC name of N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine (CID 63493866) is N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine is CC1CCCC(N(C)CC2(CNC(C)C)CCCC2)C1.
What is the InChIKey of N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine?
The InChIKey is XRKIKHKPXTYUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15(2)19-13-18(10-5-6-11-18)14-20(4)17-9-7-8-16(3)12-17/h15-17,19H,5-14H2,1-4H3.
What are the key properties of N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine?
N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63493866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).