1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine

C17H36N2 — CID 82922643

IUPAC1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCC(CC)CC(NC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H36N2/c1-7-15(8-2)13-16(18-4)17(19(5)6)11-9-14(3)10-12-17/h14-16,18H,7-13H2,1-6H3
InChIKeySGAMNEVRLZCKRM-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds7

About 1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine

1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 82922643) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID82922643
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCC(CC)CC(NC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H36N2/c1-7-15(8-2)13-16(18-4)17(19(5)6)11-9-14(3)10-12-17/h14-16,18H,7-13H2,1-6H3
InChIKeySGAMNEVRLZCKRM-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine (CID 82922643) is 1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine is CCC(CC)CC(NC)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is SGAMNEVRLZCKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-15(8-2)13-16(18-4)17(19(5)6)11-9-14(3)10-12-17/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 82922643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).