2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine

C17H35N3 — CID 105414322

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCCC1CCC(NC)C(N(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C17H35N3/c1-6-14-8-9-15(18-2)16(12-14)20(5)13-17(19(3)4)10-7-11-17/h14-16,18H,6-13H2,1-5H3
InChIKeyOQOMATPKBMUSGU-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds6

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 105414322) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
PubChem CID105414322
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCCC1CCC(NC)C(N(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C17H35N3/c1-6-14-8-9-15(18-2)16(12-14)20(5)13-17(19(3)4)10-7-11-17/h14-16,18H,6-13H2,1-5H3
InChIKeyOQOMATPKBMUSGU-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 105414322) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine is CCC1CCC(NC)C(N(C)CC2(N(C)C)CCC2)C1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is OQOMATPKBMUSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-6-14-8-9-15(18-2)16(12-14)20(5)13-17(19(3)4)10-7-11-17/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 105414322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).