N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine

C17H34N2 — CID 65382362

IUPACN-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine
SMILESCCCC1CCC(CN)(NC2CCCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-2-7-15-10-12-17(14-18,13-11-15)19-16-8-5-3-4-6-9-16/h15-16,19H,2-14,18H2,1H3
InChIKeyYXAKGGAFMGHKGQ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.99
Rot. Bonds5

About N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine

N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine (PubChem CID 65382362) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine
PubChem CID65382362
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine
SMILESCCCC1CCC(CN)(NC2CCCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-2-7-15-10-12-17(14-18,13-11-15)19-16-8-5-3-4-6-9-16/h15-16,19H,2-14,18H2,1H3
InChIKeyYXAKGGAFMGHKGQ-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
CID 65379539
1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
CID 65379731
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine
CID 65379738
1-(aminomethyl)-N-cyclopentyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 65386069
1-(aminomethyl)-N-cyclohexyl-3-ethylcyclohexan-1-amine
CID 65383479
8-(aminomethyl)-N-cyclohexylspiro[4.5]decan-8-amine
CID 114818178
1-(cyclohexylamino)-4-propylcycloheptane-1-carboxamide
CID 65088965
4-(aminomethyl)-N-cyclopentylthian-4-amine
CID 65383521
1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile
CID 65089014
N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]cyclopentanamine
CID 130847292
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]-4-propylcycloheptan-1-amine
CID 113464354
3-[[1-(aminomethyl)-4-propylcycloheptyl]amino]propan-1-ol
CID 65377207

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine?
The IUPAC name of N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine (CID 65382362) is N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine.
What is the SMILES notation for N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine?
The canonical SMILES for N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine is CCCC1CCC(CN)(NC2CCCCCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine?
The InChIKey is YXAKGGAFMGHKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-2-7-15-10-12-17(14-18,13-11-15)19-16-8-5-3-4-6-9-16/h15-16,19H,2-14,18H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine?
N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine has a molecular weight of 266.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine is sourced from PubChem (CID 65382362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).