N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine

C16H37N3 — CID 102997759

IUPACN'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CCNC(C)CCC(C)C
InChIInChI=1S/C16H37N3/c1-7-19(13-8-12-18(5)6)14-11-17-16(4)10-9-15(2)3/h15-17H,7-14H2,1-6H3
InChIKeyUMDJQLHXFIUSRA-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.67
Rot. Bonds12

About N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine

N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine (PubChem CID 102997759) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine
PubChem CID102997759
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CCNC(C)CCC(C)C
InChIInChI=1S/C16H37N3/c1-7-19(13-8-12-18(5)6)14-11-17-16(4)10-9-15(2)3/h15-17H,7-14H2,1-6H3
InChIKeyUMDJQLHXFIUSRA-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
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

N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
N'-ethyl-N,N-dimethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997818
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine
CID 62574843
N'-[2-(dimethylamino)ethyl]-N-heptan-2-yl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555157
N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 134316858
N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997904
1-N-[3-(dimethylamino)propyl]-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63694168
N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 178016346
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
CID 115712733

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine (CID 102997759) is N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine is CCN(CCCN(C)C)CCNC(C)CCC(C)C.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine?
The InChIKey is UMDJQLHXFIUSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-7-19(13-8-12-18(5)6)14-11-17-16(4)10-9-15(2)3/h15-17H,7-14H2,1-6H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.67, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 102997759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).