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

C13H22N2 — CID 61411459

IUPAC3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine
SMILESCc1ccccc1CN(C)C(C)C(C)N
InChIInChI=1S/C13H22N2/c1-10-7-5-6-8-13(10)9-15(4)12(3)11(2)14/h5-8,11-12H,9,14H2,1-4H3
InChIKeyDBHKCKSZWRCNBD-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.16
Rot. Bonds4

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

3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine (PubChem CID 61411459) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine
PubChem CID61411459
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine
SMILESCc1ccccc1CN(C)C(C)C(C)N
InChIInChI=1S/C13H22N2/c1-10-7-5-6-8-13(10)9-15(4)12(3)11(2)14/h5-8,11-12H,9,14H2,1-4H3
InChIKeyDBHKCKSZWRCNBD-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine
CID 64706789
1-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 134022614
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
3-[methyl-[(2-methylphenyl)methyl]amino]butanenitrile
CID 61360593
3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
CID 55214054
2-[methyl-[(2-methylphenyl)methyl]amino]butanamide
CID 55211748
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
CID 63585520
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62462960
2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115120751
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 61412120

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine (CID 61411459) is 3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine is Cc1ccccc1CN(C)C(C)C(C)N.
What is the InChIKey of 3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine?
The InChIKey is DBHKCKSZWRCNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-7-5-6-8-13(10)9-15(4)12(3)11(2)14/h5-8,11-12H,9,14H2,1-4H3.
What are the key properties of 3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine?
3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.16, 4 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-methylphenyl)methyl]butane-2,3-diamine is sourced from PubChem (CID 61411459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).