1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine

C19H38N2 — CID 23039129

IUPAC1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine
SMILESCCC1CCC(C)C(N)(CC2(N)CC(CC)CCC2C)C1
InChIInChI=1S/C19H38N2/c1-5-16-9-7-14(3)18(20,11-16)13-19(21)12-17(6-2)10-8-15(19)4/h14-17H,5-13,20-21H2,1-4H3
InChIKeyYDRCXLYRSRYHEA-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.46
Rot. Bonds4

About 1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine

1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine (PubChem CID 23039129) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine
PubChem CID23039129
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine
SMILESCCC1CCC(C)C(N)(CC2(N)CC(CC)CCC2C)C1
InChIInChI=1S/C19H38N2/c1-5-16-9-7-14(3)18(20,11-16)13-19(21)12-17(6-2)10-8-15(19)4/h14-17H,5-13,20-21H2,1-4H3
InChIKeyYDRCXLYRSRYHEA-UHFFFAOYSA-N
XLogP4.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine?
The IUPAC name of 1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine (CID 23039129) is 1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine is CCC1CCC(C)C(N)(CC2(N)CC(CC)CCC2C)C1.
What is the InChIKey of 1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine?
The InChIKey is YDRCXLYRSRYHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-16-9-7-14(3)18(20,11-16)13-19(21)12-17(6-2)10-8-15(19)4/h14-17H,5-13,20-21H2,1-4H3.
What are the key properties of 1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine?
1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-5-ethyl-2-methylcyclohexyl)methyl]-5-ethyl-2-methylcyclohexan-1-amine is sourced from PubChem (CID 23039129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).