butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine

C17H32N2 — CID 145315457

IUPACbutane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCCC.Cc1ccc(CN(C)CCN(C)C)cc1
InChIInChI=1S/C13H22N2.C4H10/c1-12-5-7-13(8-6-12)11-15(4)10-9-14(2)3;1-3-4-2/h5-8H,9-11H2,1-4H3;3-4H2,1-2H3
InChIKeyDBSASNDADRAOJD-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.79
Rot. Bonds6

About butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine

butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 145315457) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Namebutane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID145315457
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Namebutane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCCC.Cc1ccc(CN(C)CCN(C)C)cc1
InChIInChI=1S/C13H22N2.C4H10/c1-12-5-7-13(8-6-12)11-15(4)10-9-14(2)3;1-3-4-2/h5-8H,9-11H2,1-4H3;3-4H2,1-2H3
InChIKeyDBSASNDADRAOJD-UHFFFAOYSA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
N,N,N'-trimethyl-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 30326989
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 61386535
N'-methyl-N'-[(4-methylphenyl)methyl]-N-pentylethane-1,2-diamine
CID 62573254
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzonitrile
CID 55149643
N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 168901210
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
[methyl-[(4-methylphenyl)methyl]amino]methanethiol
CID 115228025
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one
CID 106801306

Frequently Asked Questions

What is the IUPAC name of butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine (CID 145315457) is butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine is CCCC.Cc1ccc(CN(C)CCN(C)C)cc1.
What is the InChIKey of butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is DBSASNDADRAOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C4H10/c1-12-5-7-13(8-6-12)11-15(4)10-9-14(2)3;1-3-4-2/h5-8H,9-11H2,1-4H3;3-4H2,1-2H3.
What are the key properties of butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine?
butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 264.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N,N,N'-trimethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 145315457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).