1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine

C12H27N3 — CID 79469197

IUPAC1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCN(C)CCCN(C)C1CCCC(N)C1
InChIInChI=1S/C12H27N3/c1-14(2)8-5-9-15(3)12-7-4-6-11(13)10-12/h11-12H,4-10,13H2,1-3H3
InChIKeyQMSHFDASKRNGIW-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds5

About 1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine

1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine (PubChem CID 79469197) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine
PubChem CID79469197
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCN(C)CCCN(C)C1CCCC(N)C1
InChIInChI=1S/C12H27N3/c1-14(2)8-5-9-15(3)12-7-4-6-11(13)10-12/h11-12H,4-10,13H2,1-3H3
InChIKeyQMSHFDASKRNGIW-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine (CID 79469197) is 1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine is CN(C)CCCN(C)C1CCCC(N)C1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine?
The InChIKey is QMSHFDASKRNGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-14(2)8-5-9-15(3)12-7-4-6-11(13)10-12/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine?
1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 79469197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).