N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine

C15H26N2 — CID 61411443

IUPACN'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
SMILESCc1cccc(CN(C)CCCCCCN)c1
InChIInChI=1S/C15H26N2/c1-14-8-7-9-15(12-14)13-17(2)11-6-4-3-5-10-16/h7-9,12H,3-6,10-11,13,16H2,1-2H3
InChIKeySMIAJMVQULOSMY-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.95
Rot. Bonds8

About N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine

N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine (PubChem CID 61411443) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
PubChem CID61411443
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
SMILESCc1cccc(CN(C)CCCCCCN)c1
InChIInChI=1S/C15H26N2/c1-14-8-7-9-15(12-14)13-17(2)11-6-4-3-5-10-16/h7-9,12H,3-6,10-11,13,16H2,1-2H3
InChIKeySMIAJMVQULOSMY-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.95
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-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
N'-[(3-bromophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 61415517
N'-methyl-N'-[methyl-[(3-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
CID 61456683
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 143932693
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
3-(3-methylphenyl)propan-1-amine
CID 12666388
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine?
The IUPAC name of N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine (CID 61411443) is N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine.
What is the SMILES notation for N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine?
The canonical SMILES for N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine is Cc1cccc(CN(C)CCCCCCN)c1.
What is the InChIKey of N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine?
The InChIKey is SMIAJMVQULOSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-14-8-7-9-15(12-14)13-17(2)11-6-4-3-5-10-16/h7-9,12H,3-6,10-11,13,16H2,1-2H3.
What are the key properties of N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine?
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine is sourced from PubChem (CID 61411443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).