N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine

C15H26N2 — CID 112501179

IUPACN,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
SMILESCC(C)c1ccc(C(CCCN)N(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(2)13-7-9-14(10-8-13)15(17(3)4)6-5-11-16/h7-10,12,15H,5-6,11,16H2,1-4H3
InChIKeyPLXPEPZIXNJOIM-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.15
Rot. Bonds6

About N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine

N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine (PubChem CID 112501179) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
PubChem CID112501179
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
SMILESCC(C)c1ccc(C(CCCN)N(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(2)13-7-9-14(10-8-13)15(17(3)4)6-5-11-16/h7-10,12,15H,5-6,11,16H2,1-4H3
InChIKeyPLXPEPZIXNJOIM-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 22692516
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905174
1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 116905197
5-amino-N-methyl-2-(4-propan-2-ylphenyl)pentanamide
CID 112516027
6-[4-amino-1-(dimethylamino)butyl]-3H-1,3-benzoxazol-2-one
CID 116905182
N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine
CID 116905151
N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43294635
methyl 3-(dimethylamino)-3-(4-propan-2-ylphenyl)propanoate
CID 116910166
N'-(4-propan-2-ylphenyl)hexane-1,6-diamine
CID 83952205
N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 114231042
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine?
The IUPAC name of N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine (CID 112501179) is N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine?
The canonical SMILES for N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine is CC(C)c1ccc(C(CCCN)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine?
The InChIKey is PLXPEPZIXNJOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)13-7-9-14(10-8-13)15(17(3)4)6-5-11-16/h7-10,12,15H,5-6,11,16H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine?
N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine is sourced from PubChem (CID 112501179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).