N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine

C18H32N2 — CID 65295753

IUPACN'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
SMILESCC(C)N(CCCC(C)(C)CCN)Cc1ccccc1
InChIInChI=1S/C18H32N2/c1-16(2)20(15-17-9-6-5-7-10-17)14-8-11-18(3,4)12-13-19/h5-7,9-10,16H,8,11-15,19H2,1-4H3
InChIKeyZJQXHJLIGIEFDE-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.05
Rot. Bonds9

About N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine

N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine (PubChem CID 65295753) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
PubChem CID65295753
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
SMILESCC(C)N(CCCC(C)(C)CCN)Cc1ccccc1
InChIInChI=1S/C18H32N2/c1-16(2)20(15-17-9-6-5-7-10-17)14-8-11-18(3,4)12-13-19/h5-7,9-10,16H,8,11-15,19H2,1-4H3
InChIKeyZJQXHJLIGIEFDE-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65295960
N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423459
N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
CID 79479672
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849259
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
N'-(2-methoxyethyl)-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 82951497
5-[benzyl(propan-2-yl)amino]-2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 54293439
(3R,4S)-1-amino-4-(dibenzylamino)-2,2-dimethylpentan-3-ol
CID 10687602
N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
CID 62423460

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine?
The IUPAC name of N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine (CID 65295753) is N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine.
What is the SMILES notation for N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine?
The canonical SMILES for N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine is CC(C)N(CCCC(C)(C)CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine?
The InChIKey is ZJQXHJLIGIEFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-16(2)20(15-17-9-6-5-7-10-17)14-8-11-18(3,4)12-13-19/h5-7,9-10,16H,8,11-15,19H2,1-4H3.
What are the key properties of N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine?
N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine is sourced from PubChem (CID 65295753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).