2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine

C14H30N2 — CID 62614852

IUPAC2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCN(CC1CC(C)CCC1NC)C(C)C
InChIInChI=1S/C14H30N2/c1-6-16(11(2)3)10-13-9-12(4)7-8-14(13)15-5/h11-15H,6-10H2,1-5H3
InChIKeyDAVDSFYKWGTTEH-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds5

About 2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine

2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 62614852) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID62614852
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCN(CC1CC(C)CCC1NC)C(C)C
InChIInChI=1S/C14H30N2/c1-6-16(11(2)3)10-13-9-12(4)7-8-14(13)15-5/h11-15H,6-10H2,1-5H3
InChIKeyDAVDSFYKWGTTEH-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine (CID 62614852) is 2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine is CCN(CC1CC(C)CCC1NC)C(C)C.
What is the InChIKey of 2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is DAVDSFYKWGTTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-16(11(2)3)10-13-9-12(4)7-8-14(13)15-5/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62614852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).