1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine

C15H26N2 — CID 79414588

IUPAC1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine
SMILESCNCC(C)C(C)N(C)Cc1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-12-7-6-8-15(9-12)11-17(5)14(3)13(2)10-16-4/h6-9,13-14,16H,10-11H2,1-5H3
InChIKeySFXYTEUGYJANEV-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.67
Rot. Bonds6

About 1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine

1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine (PubChem CID 79414588) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine
PubChem CID79414588
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine
SMILESCNCC(C)C(C)N(C)Cc1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-12-7-6-8-15(9-12)11-17(5)14(3)13(2)10-16-4/h6-9,13-14,16H,10-11H2,1-5H3
InChIKeySFXYTEUGYJANEV-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 79202080
formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 143158010
2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61414435
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride
CID 119717227
3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79409048
3-N-[(3-chlorophenyl)methyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81012842
1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 107519933
N,2-dimethyl-3-(3-methylphenyl)butan-1-amine
CID 81016539
N'-hydroxy-3-[methyl-[(3-methylphenyl)methyl]amino]butanimidamide
CID 61413856
4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 116501648
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 104710864

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine (CID 79414588) is 1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine is CNCC(C)C(C)N(C)Cc1cccc(C)c1.
What is the InChIKey of 1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine?
The InChIKey is SFXYTEUGYJANEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-7-6-8-15(9-12)11-17(5)14(3)13(2)10-16-4/h6-9,13-14,16H,10-11H2,1-5H3.
What are the key properties of 1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine?
1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine is sourced from PubChem (CID 79414588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).