4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine

C16H37N3 — CID 58251491

IUPAC4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
SMILESCN(C)CCCC(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C16H37N3/c1-17(2)13-7-10-16(11-8-14-18(3)4)12-9-15-19(5)6/h16H,7-15H2,1-6H3
InChIKeyARPWMEBBUGEGSF-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.63
Rot. Bonds12

About 4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine

4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine (PubChem CID 58251491) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
PubChem CID58251491
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC Name4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
SMILESCN(C)CCCC(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C16H37N3/c1-17(2)13-7-10-16(11-8-14-18(3)4)12-9-15-19(5)6/h16H,7-15H2,1-6H3
InChIKeyARPWMEBBUGEGSF-UHFFFAOYSA-N
XLogP2.63
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
(4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine
CID 118887657
N,N,8-trimethyl-5-propylnonan-1-amine
CID 123144577
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
tributyl-[3-(dimethylamino)propyl]phosphanium chloride
CID 19764961
20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride
CID 172995497
4-butyl-N-iodo-N-methyloctan-1-amine
CID 163694907
4-ethyl-N,N,5-trimethylhexan-1-amine
CID 91536277
1-(dimethylamino)-11-hexylheptadecan-6-one
CID 170053331
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
ethane;5-methoxy-N,N,4-trimethylpentan-1-amine
CID 143609953
(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine
CID 171447799

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The IUPAC name of 4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine (CID 58251491) is 4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine is CN(C)CCCC(CCCN(C)C)CCCN(C)C.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The InChIKey is ARPWMEBBUGEGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-17(2)13-7-10-16(11-8-14-18(3)4)12-9-15-19(5)6/h16H,7-15H2,1-6H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.63, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine is sourced from PubChem (CID 58251491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).