N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine

C18H36N2 — CID 65379738

IUPACN-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine
SMILESCC(C)(C)C1CCC(CN)(NC2CCCCCC2)CC1
InChIInChI=1S/C18H36N2/c1-17(2,3)15-10-12-18(14-19,13-11-15)20-16-8-6-4-5-7-9-16/h15-16,20H,4-14,19H2,1-3H3
InChIKeyWVWXNEOLOAVTLM-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.23
Rot. Bonds3

About N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine

N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine (PubChem CID 65379738) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine
PubChem CID65379738
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine
SMILESCC(C)(C)C1CCC(CN)(NC2CCCCCC2)CC1
InChIInChI=1S/C18H36N2/c1-17(2,3)15-10-12-18(14-19,13-11-15)20-16-8-6-4-5-7-9-16/h15-16,20H,4-14,19H2,1-3H3
InChIKeyWVWXNEOLOAVTLM-UHFFFAOYSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-cyclopentyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 65386069
N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine
CID 65382362
N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
CID 65379539
1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
CID 65379731
8-(aminomethyl)-N-cyclohexylspiro[4.5]decan-8-amine
CID 114818178
4-(aminomethyl)-N-cyclopentylthian-4-amine
CID 65383521
1-(aminomethyl)-4-tert-butyl-N-prop-2-ynylcyclohexan-1-amine
CID 65382191
N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]cyclopentanamine
CID 130847292
1-(aminomethyl)-N-cyclopentyl-3,3-dimethylcyclopentan-1-amine
CID 80706363
3-(aminomethyl)-N-cyclohexyloxolan-3-amine
CID 65385376
4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine
CID 65379737
1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine
CID 107449145

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine?
The IUPAC name of N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine (CID 65379738) is N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine.
What is the SMILES notation for N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine?
The canonical SMILES for N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine is CC(C)(C)C1CCC(CN)(NC2CCCCCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine?
The InChIKey is WVWXNEOLOAVTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-17(2,3)15-10-12-18(14-19,13-11-15)20-16-8-6-4-5-7-9-16/h15-16,20H,4-14,19H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine?
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine has a molecular weight of 280.50 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine is sourced from PubChem (CID 65379738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).