1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine

C16H37N3 — CID 63699837

IUPAC1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
SMILESCCCNC(CCN(C)CCCN(C)C)C(C)(C)C
InChIInChI=1S/C16H37N3/c1-8-11-17-15(16(2,3)4)10-14-19(7)13-9-12-18(5)6/h15,17H,8-14H2,1-7H3
InChIKeyWMEUUVGBJJQSEX-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.67
Rot. Bonds10

About 1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine

1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine (PubChem CID 63699837) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
PubChem CID63699837
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
SMILESCCCNC(CCN(C)CCCN(C)C)C(C)(C)C
InChIInChI=1S/C16H37N3/c1-8-11-17-15(16(2,3)4)10-14-19(7)13-9-12-18(5)6/h15,17H,8-14H2,1-7H3
InChIKeyWMEUUVGBJJQSEX-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[3-(dimethylamino)propyl]-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63694168
1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
CID 62623379
3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine
CID 62624784
1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62861204
1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62622855
1-N-butan-2-yl-1-N-butyl-4,4-dimethyl-3-N-propylpentane-1,3-diamine
CID 63493785
N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
CID 20621536
1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol
CID 63700199
1-N,4,4-trimethyl-3-N-propyl-1-N-(thiophen-3-ylmethyl)pentane-1,3-diamine
CID 55098279
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
1-N-butyl-3-N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]-1-N-methylpentane-1,3-diamine
CID 134400911
1-N,4,4-trimethyl-1-N-[(3-methylphenyl)methyl]-3-N-propylpentane-1,3-diamine
CID 63494152

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine (CID 63699837) is 1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine is CCCNC(CCN(C)CCCN(C)C)C(C)(C)C.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
The InChIKey is WMEUUVGBJJQSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-8-11-17-15(16(2,3)4)10-14-19(7)13-9-12-18(5)6/h15,17H,8-14H2,1-7H3.
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine?
1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.67, 10 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,4,4-trimethyl-3-N-propylpentane-1,3-diamine is sourced from PubChem (CID 63699837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).