1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine

C16H28N2 — CID 106799242

IUPAC1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
SMILESCCNC(CC)CCCN(C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-4-16(17-5-2)12-9-13-18(3)14-15-10-7-6-8-11-15/h6-8,10-11,16-17H,4-5,9,12-14H2,1-3H3
InChIKeyLDAOARFLPJYUPH-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.29
Rot. Bonds9

About 1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine

1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine (PubChem CID 106799242) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine.

Molecular Properties

Compound Name1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
PubChem CID106799242
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
SMILESCCNC(CC)CCCN(C)Cc1ccccc1
InChIInChI=1S/C16H28N2/c1-4-16(17-5-2)12-9-13-18(3)14-15-10-7-6-8-11-15/h6-8,10-11,16-17H,4-5,9,12-14H2,1-3H3
InChIKeyLDAOARFLPJYUPH-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62038846
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
3-[3-[benzyl(methyl)amino]propylamino]pentanenitrile
CID 43175206
1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine
CID 106799376
2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
CID 65487022
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
CID 43760711
1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine
CID 106799552
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
CID 106799773
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine?
The IUPAC name of 1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine (CID 106799242) is 1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine.
What is the SMILES notation for 1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine?
The canonical SMILES for 1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine is CCNC(CC)CCCN(C)Cc1ccccc1.
What is the InChIKey of 1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine?
The InChIKey is LDAOARFLPJYUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-16(17-5-2)12-9-13-18(3)14-15-10-7-6-8-11-15/h6-8,10-11,16-17H,4-5,9,12-14H2,1-3H3.
What are the key properties of 1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine?
1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine is sourced from PubChem (CID 106799242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).