1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine

C12H29N3 — CID 63693646

IUPAC1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
SMILESCC(N)CCCCN(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-12(13)8-5-6-10-15(4)11-7-9-14(2)3/h12H,5-11,13H2,1-4H3
InChIKeySZDFYXDCEADHIG-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.39
Rot. Bonds9

About 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine

1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine (PubChem CID 63693646) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
PubChem CID63693646
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
SMILESCC(N)CCCCN(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-12(13)8-5-6-10-15(4)11-7-9-14(2)3/h12H,5-11,13H2,1-4H3
InChIKeySZDFYXDCEADHIG-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
CID 63701347
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
CID 82017008
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine
CID 63880126
docosane-2,21-diamine
CID 150079956
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
1-N,1-N-dimethyloctane-1,5-diamine
CID 118262358
4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
CID 63699813

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine (CID 63693646) is 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine is CC(N)CCCCN(C)CCCN(C)C.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine?
The InChIKey is SZDFYXDCEADHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-12(13)8-5-6-10-15(4)11-7-9-14(2)3/h12H,5-11,13H2,1-4H3.
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine?
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.39, 9 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-methylhexane-1,5-diamine is sourced from PubChem (CID 63693646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).