3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine

C15H26N2 — CID 117040414

IUPAC3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine
SMILESCc1ccc(CN(C)C(C)CCN)c(C)c1C
InChIInChI=1S/C15H26N2/c1-11-6-7-15(14(4)13(11)3)10-17(5)12(2)8-9-16/h6-7,12H,8-10,16H2,1-5H3
InChIKeyZIKKWMWFLBQEEV-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.78
Rot. Bonds5

About 3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine

3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine (PubChem CID 117040414) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine
PubChem CID117040414
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine
SMILESCc1ccc(CN(C)C(C)CCN)c(C)c1C
InChIInChI=1S/C15H26N2/c1-11-6-7-15(14(4)13(11)3)10-17(5)12(2)8-9-16/h6-7,12H,8-10,16H2,1-5H3
InChIKeyZIKKWMWFLBQEEV-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040409
3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040350
3-N-[(5-chloro-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225677
3-N-[(5-bromo-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040347
2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide
CID 115187031
[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol
CID 115229232
N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905417
3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
CID 61421973
3-N-methyl-3-N-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,3-diamine
CID 117040471
N'-methyl-N'-[2-(2,3,4-trimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195540
3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225867
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine (CID 117040414) is 3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine is Cc1ccc(CN(C)C(C)CCN)c(C)c1C.
What is the InChIKey of 3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine?
The InChIKey is ZIKKWMWFLBQEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-6-7-15(14(4)13(11)3)10-17(5)12(2)8-9-16/h6-7,12H,8-10,16H2,1-5H3.
What are the key properties of 3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine?
3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine is sourced from PubChem (CID 117040414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).