4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine

C16H32N2 — CID 67929401

IUPAC4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine
SMILESCCC1CC(C2CCC(N)C(CC)C2)CCC1N
InChIInChI=1S/C16H32N2/c1-3-11-9-13(5-7-15(11)17)14-6-8-16(18)12(4-2)10-14/h11-16H,3-10,17-18H2,1-2H3
InChIKeyCRJJUWZSGOPPLJ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.29
Rot. Bonds3

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

4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine (PubChem CID 67929401) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine
PubChem CID67929401
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine
SMILESCCC1CC(C2CCC(N)C(CC)C2)CCC1N
InChIInChI=1S/C16H32N2/c1-3-11-9-13(5-7-15(11)17)14-6-8-16(18)12(4-2)10-14/h11-16H,3-10,17-18H2,1-2H3
InChIKeyCRJJUWZSGOPPLJ-UHFFFAOYSA-N
XLogP3.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine?
The IUPAC name of 4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine (CID 67929401) is 4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine?
The canonical SMILES for 4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine is CCC1CC(C2CCC(N)C(CC)C2)CCC1N.
What is the InChIKey of 4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine?
The InChIKey is CRJJUWZSGOPPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-11-9-13(5-7-15(11)17)14-6-8-16(18)12(4-2)10-14/h11-16H,3-10,17-18H2,1-2H3.
What are the key properties of 4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine?
4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 67929401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).