1-(aminomethyl)-4-ethylcyclohexan-1-amine

C9H20N2 — CID 43519516

IUPAC1-(aminomethyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(CN)CC1
InChIInChI=1S/C9H20N2/c1-2-8-3-5-9(11,7-10)6-4-8/h8H,2-7,10-11H2,1H3
InChIKeyYCRSNISGAWKOMI-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.24
Rot. Bonds2

About 1-(aminomethyl)-4-ethylcyclohexan-1-amine

1-(aminomethyl)-4-ethylcyclohexan-1-amine (PubChem CID 43519516) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethylcyclohexan-1-amine
PubChem CID43519516
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-(aminomethyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(CN)CC1
InChIInChI=1S/C9H20N2/c1-2-8-3-5-9(11,7-10)6-4-8/h8H,2-7,10-11H2,1H3
InChIKeyYCRSNISGAWKOMI-UHFFFAOYSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Aminopropan-2-yl)-1-methylcyclohexan-1-amine
CID 6650
4-(2-Methylpentyl)cyclohexanamine
CID 99093
4-Butylcyclohexylamine
CID 425326
4-Ethylcyclohexan-1-amine
CID 420819
4-Isopropylcyclohexylamine
CID 421053
4-Propylcyclohexylamine
CID 544651
Cyclohexylamine, 4-nonyl-
CID 3063999
1,4-Cyclohexanedimethanamine, 1-ethyl-
CID 103235
4-Amylcyclohexylamine
CID 13783029
1-Cyclohexylethane-1,2-diamine
CID 18705586
4-(2-Aminoethyl)cyclohexylamine
CID 21646682
(4-Ethylcyclohexyl)methanamine
CID 22484506

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-ethylcyclohexan-1-amine (CID 43519516) is 1-(aminomethyl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethylcyclohexan-1-amine?
The InChIKey is YCRSNISGAWKOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-8-3-5-9(11,7-10)6-4-8/h8H,2-7,10-11H2,1H3.
What are the key properties of 1-(aminomethyl)-4-ethylcyclohexan-1-amine?
1-(aminomethyl)-4-ethylcyclohexan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 43519516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).