1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine

C16H28N2 — CID 116904791

IUPAC1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine
SMILESCC(C)Cc1ccc(C(CC(C)N)N(C)C)cc1
InChIInChI=1S/C16H28N2/c1-12(2)10-14-6-8-15(9-7-14)16(18(4)5)11-13(3)17/h6-9,12-13,16H,10-11,17H2,1-5H3
InChIKeyWLKTYMBVCOOCTL-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.23
Rot. Bonds6

About 1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine

1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine (PubChem CID 116904791) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine
PubChem CID116904791
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine
SMILESCC(C)Cc1ccc(C(CC(C)N)N(C)C)cc1
InChIInChI=1S/C16H28N2/c1-12(2)10-14-6-8-15(9-7-14)16(18(4)5)11-13(3)17/h6-9,12-13,16H,10-11,17H2,1-5H3
InChIKeyWLKTYMBVCOOCTL-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 95443981
3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 116907540
1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904772
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
CID 116904868
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 116911685
1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904801

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine (CID 116904791) is 1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine is CC(C)Cc1ccc(C(CC(C)N)N(C)C)cc1.
What is the InChIKey of 1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine?
The InChIKey is WLKTYMBVCOOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(2)10-14-6-8-15(9-7-14)16(18(4)5)11-13(3)17/h6-9,12-13,16H,10-11,17H2,1-5H3.
What are the key properties of 1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine?
1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.23, 6 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-[4-(2-methylpropyl)phenyl]butane-1,3-diamine is sourced from PubChem (CID 116904791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).