N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine

C17H30N2 — CID 43760711

IUPACN'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
SMILESCCCCC(C)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-4-5-10-16(2)18-13-9-14-19(3)15-17-11-7-6-8-12-17/h6-8,11-12,16,18H,4-5,9-10,13-15H2,1-3H3
InChIKeyXLAOBNMPDJTZQR-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.68
Rot. Bonds10

About N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine

N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine (PubChem CID 43760711) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
PubChem CID43760711
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
SMILESCCCCC(C)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C17H30N2/c1-4-5-10-16(2)18-13-9-14-19(3)15-17-11-7-6-8-12-17/h6-8,11-12,16,18H,4-5,9-10,13-15H2,1-3H3
InChIKeyXLAOBNMPDJTZQR-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine
CID 115707813
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine
CID 65486070
N'-benzyl-N'-ethyl-N-heptan-2-ylethane-1,2-diamine
CID 63502856
2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide
CID 43089029
3-[3-[benzyl(methyl)amino]propylamino]pentanenitrile
CID 43175206
1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799242
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea
CID 115573153
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide
CID 43089275
6-phenyl-N-propylhexan-2-amine
CID 61485022

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine (CID 43760711) is N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine is CCCCC(C)NCCCN(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine?
The InChIKey is XLAOBNMPDJTZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-5-10-16(2)18-13-9-14-19(3)15-17-11-7-6-8-12-17/h6-8,11-12,16,18H,4-5,9-10,13-15H2,1-3H3.
What are the key properties of N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine?
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 43760711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).