1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine

C14H24N2 — CID 116904772

IUPAC1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCc1ccc(C(CC(C)N)N(C)C)cc1C
InChIInChI=1S/C14H24N2/c1-10-6-7-13(8-11(10)2)14(16(4)5)9-12(3)15/h6-8,12,14H,9,15H2,1-5H3
InChIKeyHYBHUVLGYBQLIK-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.64
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine

1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 116904772) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID116904772
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCc1ccc(C(CC(C)N)N(C)C)cc1C
InChIInChI=1S/C14H24N2/c1-10-6-7-13(8-11(10)2)14(16(4)5)9-12(3)15/h6-8,12,14H,9,15H2,1-5H3
InChIKeyHYBHUVLGYBQLIK-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
CID 116904868
1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904878
1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904801
1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905016
1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine
CID 116904791
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
1-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317390
4-(dimethylamino)-4-(3,4-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116908309
1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 63470604
1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43099857

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 116904772) is 1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine is Cc1ccc(C(CC(C)N)N(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is HYBHUVLGYBQLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10-6-7-13(8-11(10)2)14(16(4)5)9-12(3)15/h6-8,12,14H,9,15H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine?
1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 116904772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).