N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine

C17H30N2 — CID 115202194

IUPACN,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine
SMILESCCCc1ccc(CCN(C)CCCCNC)cc1
InChIInChI=1S/C17H30N2/c1-4-7-16-8-10-17(11-9-16)12-15-19(3)14-6-5-13-18-2/h8-11,18H,4-7,12-15H2,1-3H3
InChIKeyAVEMWNUZNAXJLM-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.11
Rot. Bonds10

About N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine

N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine (PubChem CID 115202194) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine
PubChem CID115202194
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine
SMILESCCCc1ccc(CCN(C)CCCCNC)cc1
InChIInChI=1S/C17H30N2/c1-4-7-16-8-10-17(11-9-16)12-15-19(3)14-6-5-13-18-2/h8-11,18H,4-7,12-15H2,1-3H3
InChIKeyAVEMWNUZNAXJLM-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine
CID 170568640
N-[2-(4-ethoxyphenyl)ethyl]-N-methylpentan-1-amine
CID 173290456
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
4-[2-[hexyl(methyl)amino]ethyl]aniline
CID 89126369
N-methyl-N-[2-[4-[2-(2-methylhydrazinyl)ethyl]phenyl]ethyl]propan-1-amine
CID 171539214
N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202182
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine (CID 115202194) is N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine is CCCc1ccc(CCN(C)CCCCNC)cc1.
What is the InChIKey of N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine?
The InChIKey is AVEMWNUZNAXJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-7-16-8-10-17(11-9-16)12-15-19(3)14-6-5-13-18-2/h8-11,18H,4-7,12-15H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine?
N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 115202194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).