1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine

C17H30N2 — CID 65296439

IUPAC1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine
SMILESCc1cccc(CN(C)CC(C)CCCC(C)N)c1
InChIInChI=1S/C17H30N2/c1-14-7-6-10-17(11-14)13-19(4)12-15(2)8-5-9-16(3)18/h6-7,10-11,15-16H,5,8-9,12-13,18H2,1-4H3
InChIKeyLXSQZQNJKBKFBN-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.58
Rot. Bonds8

About 1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine

1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine (PubChem CID 65296439) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine
PubChem CID65296439
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine
SMILESCc1cccc(CN(C)CC(C)CCCC(C)N)c1
InChIInChI=1S/C17H30N2/c1-14-7-6-10-17(11-14)13-19(4)12-15(2)8-5-9-16(3)18/h6-7,10-11,15-16H,5,8-9,12-13,18H2,1-4H3
InChIKeyLXSQZQNJKBKFBN-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methylphenyl)pentan-2-amine
CID 64502928
N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 62411635
4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 55080874
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
2-(bromomethyl)-N,3-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 65011843
1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
2-bromo-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 80691818
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105346309

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine (CID 65296439) is 1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine is Cc1cccc(CN(C)CC(C)CCCC(C)N)c1.
What is the InChIKey of 1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine?
The InChIKey is LXSQZQNJKBKFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14-7-6-10-17(11-14)13-19(4)12-15(2)8-5-9-16(3)18/h6-7,10-11,15-16H,5,8-9,12-13,18H2,1-4H3.
What are the key properties of 1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine?
1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine is sourced from PubChem (CID 65296439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).