N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C16H37N3 — CID 178016346

IUPACN'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCCN(C(C)C)C(C)C
InChIInChI=1S/C16H37N3/c1-8-18(12-9-11-17(6)7)13-10-14-19(15(2)3)16(4)5/h15-16H,8-14H2,1-7H3
InChIKeyXVIPIDVKMFTVQF-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.77
Rot. Bonds11

About N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 178016346) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID178016346
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC NameN'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCCN(C(C)C)C(C)C
InChIInChI=1S/C16H37N3/c1-8-18(12-9-11-17(6)7)13-10-14-19(15(2)3)16(4)5/h15-16H,8-14H2,1-7H3
InChIKeyXVIPIDVKMFTVQF-UHFFFAOYSA-N
XLogP2.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol
CID 174850571
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 159329709
1-[3-[di(propan-2-yl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889984
N'-ethyl-N,N-dimethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997818
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
1,3-dibromopropane;N',N'-diethyl-N,N-dimethylpropane-1,3-diamine
CID 170854608
N,N-dibutyl-N',N'-di(propan-2-yl)tetradecane-1,14-diamine
CID 91807307
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol;N'-ethyl-N'-methylpropane-1,3-diamine
CID 158028824
N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997759

Frequently Asked Questions

What is the IUPAC name of N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 178016346) is N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)CCCN(C(C)C)C(C)C.
What is the InChIKey of N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is XVIPIDVKMFTVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-8-18(12-9-11-17(6)7)13-10-14-19(15(2)3)16(4)5/h15-16H,8-14H2,1-7H3.
What are the key properties of N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.77, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 178016346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).