N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine

C17H30N2 — CID 65295960

IUPACN'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
SMILESCCN(CCCC(C)(C)CCN)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-4-19(15-16-9-6-5-7-10-16)14-8-11-17(2,3)12-13-18/h5-7,9-10H,4,8,11-15,18H2,1-3H3
InChIKeyDVZCFMHENDSAQV-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.66
Rot. Bonds9

About N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine

N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine (PubChem CID 65295960) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
PubChem CID65295960
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
SMILESCCN(CCCC(C)(C)CCN)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-4-19(15-16-9-6-5-7-10-16)14-8-11-17(2,3)12-13-18/h5-7,9-10H,4,8,11-15,18H2,1-3H3
InChIKeyDVZCFMHENDSAQV-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 65295753
N'-benzyl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 55074482
N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65296059
5-[3-aminopropyl(benzyl)amino]-2,2-dimethylpentanenitrile
CID 107367959
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
1-N-benzyl-1-N-ethyl-2-methylpentane-1,2-diamine
CID 60852613
N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 62575062
N-benzyl-N-ethylethanamine;ethene
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N-benzyl-N-ethylethanamine;methanethiol
CID 142975470

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine?
The IUPAC name of N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine (CID 65295960) is N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine.
What is the SMILES notation for N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine?
The canonical SMILES for N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine is CCN(CCCC(C)(C)CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine?
The InChIKey is DVZCFMHENDSAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-19(15-16-9-6-5-7-10-16)14-8-11-17(2,3)12-13-18/h5-7,9-10H,4,8,11-15,18H2,1-3H3.
What are the key properties of N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine?
N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine is sourced from PubChem (CID 65295960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).