1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine

C13H22N2 — CID 116904868

IUPAC1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
SMILESCc1cccc(C(CC(C)N)N(C)C)c1
InChIInChI=1S/C13H22N2/c1-10-6-5-7-12(8-10)13(15(3)4)9-11(2)14/h5-8,11,13H,9,14H2,1-4H3
InChIKeyLEEACLSIGOJEAE-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.34
Rot. Bonds4

About 1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine

1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine (PubChem CID 116904868) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
PubChem CID116904868
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
SMILESCc1cccc(C(CC(C)N)N(C)C)c1
InChIInChI=1S/C13H22N2/c1-10-6-5-7-12(8-10)13(15(3)4)9-11(2)14/h5-8,11,13H,9,14H2,1-4H3
InChIKeyLEEACLSIGOJEAE-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
4-(3-methylphenyl)pentan-2-amine
CID 64719404
1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904772
N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
CID 138627440
N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 43272724
4-(3-methylphenyl)octane-2,6-diamine;dihydrochloride
CID 170889803
1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904878
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904801
(2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane
CID 142338489
1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine
CID 116904791
1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905619

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine (CID 116904868) is 1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine is Cc1cccc(C(CC(C)N)N(C)C)c1.
What is the InChIKey of 1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine?
The InChIKey is LEEACLSIGOJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-6-5-7-12(8-10)13(15(3)4)9-11(2)14/h5-8,11,13H,9,14H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine?
1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine is sourced from PubChem (CID 116904868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).