2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine

C19H34N2 — CID 116544674

IUPAC2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine
SMILESCCCc1cccc(C(NC)C(C)(CC)N(CC)CC)c1
InChIInChI=1S/C19H34N2/c1-7-12-16-13-11-14-17(15-16)18(20-6)19(5,8-2)21(9-3)10-4/h11,13-15,18,20H,7-10,12H2,1-6H3
InChIKeyCSHAFRNRWDQKEQ-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.41
Rot. Bonds9

About 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine

2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine (PubChem CID 116544674) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine
PubChem CID116544674
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine
SMILESCCCc1cccc(C(NC)C(C)(CC)N(CC)CC)c1
InChIInChI=1S/C19H34N2/c1-7-12-16-13-11-14-17(15-16)18(20-6)19(5,8-2)21(9-3)10-4/h11,13-15,18,20H,7-10,12H2,1-6H3
InChIKeyCSHAFRNRWDQKEQ-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine
CID 116544650
2-N,2-N-diethyl-1-(3-methoxyphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79068906
N,N-diethyl-1-(3-ethylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240787
1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 79069534
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
1-(3-chlorophenyl)-2-N,2-N-diethyl-2-methyl-1-N-propylbutane-1,2-diamine
CID 79058576
2-N,2-N-diethyl-1-(3-fluoro-5-methylphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79705022
N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 116544657
2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116759318
2-methyl-1-(3-propylphenyl)butane-1,2-diol
CID 103448692
N-methyl-1-(3-propylphenyl)-1-pyrimidin-5-ylmethanamine
CID 102923924
1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine
CID 116544670

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine (CID 116544674) is 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine is CCCc1cccc(C(NC)C(C)(CC)N(CC)CC)c1.
What is the InChIKey of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine?
The InChIKey is CSHAFRNRWDQKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-12-16-13-11-14-17(15-16)18(20-6)19(5,8-2)21(9-3)10-4/h11,13-15,18,20H,7-10,12H2,1-6H3.
What are the key properties of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine?
2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)butane-1,2-diamine is sourced from PubChem (CID 116544674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).