4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine

C19H38N2 — CID 23352223

IUPAC4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CC(N)CCC1C(CC)C1CCC(N)CC1CC
InChIInChI=1S/C19H38N2/c1-4-13-11-15(20)7-9-18(13)17(6-3)19-10-8-16(21)12-14(19)5-2/h13-19H,4-12,20-21H2,1-3H3
InChIKeyLBYPPXXLCIGVKY-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.32
Rot. Bonds5

About 4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine

4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine (PubChem CID 23352223) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine
PubChem CID23352223
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CC(N)CCC1C(CC)C1CCC(N)CC1CC
InChIInChI=1S/C19H38N2/c1-4-13-11-15(20)7-9-18(13)17(6-3)19-10-8-16(21)12-14(19)5-2/h13-19H,4-12,20-21H2,1-3H3
InChIKeyLBYPPXXLCIGVKY-UHFFFAOYSA-N
XLogP4.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine with MolForge

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Related Compounds

trans-(1R,2S)-2-pentan-3-ylcyclopropan-1-amine
CID 94397810
4-ethyl-3-N-methylcyclohexane-1,3-diamine
CID 168995405
3,4-diethyl-6,6-dimethylcyclooctan-1-amine
CID 166972980
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
1-butan-2-yl-2-ethylcyclobutane
CID 91142944
(1R,3R,4R)-3-methyl-4-propan-2-ylcyclohexan-1-amine
CID 153443781
4-propylcyclohexane-1,3-diamine
CID 175197962
3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine
CID 79461153
3-ethyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 165497815
4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine
CID 162715157
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538
trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol
CID 130207945

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of 4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine (CID 23352223) is 4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for 4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine is CCC1CC(N)CCC1C(CC)C1CCC(N)CC1CC.
What is the InChIKey of 4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine?
The InChIKey is LBYPPXXLCIGVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-4-13-11-15(20)7-9-18(13)17(6-3)19-10-8-16(21)12-14(19)5-2/h13-19H,4-12,20-21H2,1-3H3.
What are the key properties of 4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine?
4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-2-ethylcyclohexyl)propyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 23352223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).