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

C16H32N2 — CID 65379539

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
SMILESCCC1CCC(CN)(NC2CCCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-2-14-9-11-16(13-17,12-10-14)18-15-7-5-3-4-6-8-15/h14-15,18H,2-13,17H2,1H3
InChIKeyIDNJRPBUPFOQKV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.60
Rot. Bonds4

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

N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine (PubChem CID 65379539) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
PubChem CID65379539
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
SMILESCCC1CCC(CN)(NC2CCCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-2-14-9-11-16(13-17,12-10-14)18-15-7-5-3-4-6-8-15/h14-15,18H,2-13,17H2,1H3
InChIKeyIDNJRPBUPFOQKV-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
CID 65379731
N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine
CID 65382362
1-(aminomethyl)-N-cyclohexyl-3-ethylcyclohexan-1-amine
CID 65383479
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine
CID 65379738
8-(aminomethyl)-N-cyclohexylspiro[4.5]decan-8-amine
CID 114818178
4-(aminomethyl)-N-cyclopentylthian-4-amine
CID 65383521
1-(aminomethyl)-N-cyclopentyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 65386069
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
1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane
CID 28940754
4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine
CID 65379737

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine (CID 65379539) is N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine is CCC1CCC(CN)(NC2CCCCCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine?
The InChIKey is IDNJRPBUPFOQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-14-9-11-16(13-17,12-10-14)18-15-7-5-3-4-6-8-15/h14-15,18H,2-13,17H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine?
N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine has a molecular weight of 252.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine is sourced from PubChem (CID 65379539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).