N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine

C19H36N2 — CID 65282297

IUPACN-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCC1(C)CCCN(CC2(CNC3CC3)CCCCC2)CC1
InChIInChI=1S/C19H36N2/c1-18(2)9-6-13-21(14-12-18)16-19(10-4-3-5-11-19)15-20-17-7-8-17/h17,20H,3-16H2,1-2H3
InChIKeyHAQHDOIQBNUKQX-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds5

About N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine

N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 65282297) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID65282297
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCC1(C)CCCN(CC2(CNC3CC3)CCCCC2)CC1
InChIInChI=1S/C19H36N2/c1-18(2)9-6-13-21(14-12-18)16-19(10-4-3-5-11-19)15-20-17-7-8-17/h17,20H,3-16H2,1-2H3
InChIKeyHAQHDOIQBNUKQX-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine (CID 65282297) is N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine is CC1(C)CCCN(CC2(CNC3CC3)CCCCC2)CC1.
What is the InChIKey of N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is HAQHDOIQBNUKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-18(2)9-6-13-21(14-12-18)16-19(10-4-3-5-11-19)15-20-17-7-8-17/h17,20H,3-16H2,1-2H3.
What are the key properties of N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 292.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 65282297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).