1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine

C12H27N3 — CID 80559919

IUPAC1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine
SMILESCC(C)CC(CNC1CC(N)C1)N(C)C
InChIInChI=1S/C12H27N3/c1-9(2)5-12(15(3)4)8-14-11-6-10(13)7-11/h9-12,14H,5-8,13H2,1-4H3
InChIKeyKWCVIAYXCISXMS-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.04
Rot. Bonds6

About 1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine

1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine (PubChem CID 80559919) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine
PubChem CID80559919
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine
SMILESCC(C)CC(CNC1CC(N)C1)N(C)C
InChIInChI=1S/C12H27N3/c1-9(2)5-12(15(3)4)8-14-11-6-10(13)7-11/h9-12,14H,5-8,13H2,1-4H3
InChIKeyKWCVIAYXCISXMS-UHFFFAOYSA-N
XLogP1.04
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine (CID 80559919) is 1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine is CC(C)CC(CNC1CC(N)C1)N(C)C.
What is the InChIKey of 1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine?
The InChIKey is KWCVIAYXCISXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-9(2)5-12(15(3)4)8-14-11-6-10(13)7-11/h9-12,14H,5-8,13H2,1-4H3.
What are the key properties of 1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine?
1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80559919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).