N,2-dimethyl-3-(3-propylphenyl)butan-1-amine

C15H25N — CID 116546425

IUPACN,2-dimethyl-3-(3-propylphenyl)butan-1-amine
SMILESCCCc1cccc(C(C)C(C)CNC)c1
InChIInChI=1S/C15H25N/c1-5-7-14-8-6-9-15(10-14)13(3)12(2)11-16-4/h6,8-10,12-13,16H,5,7,11H2,1-4H3
InChIKeyNBPPAZKPJUYSKO-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.60
Rot. Bonds6

About N,2-dimethyl-3-(3-propylphenyl)butan-1-amine

N,2-dimethyl-3-(3-propylphenyl)butan-1-amine (PubChem CID 116546425) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,2-dimethyl-3-(3-propylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(3-propylphenyl)butan-1-amine
PubChem CID116546425
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,2-dimethyl-3-(3-propylphenyl)butan-1-amine
SMILESCCCc1cccc(C(C)C(C)CNC)c1
InChIInChI=1S/C15H25N/c1-5-7-14-8-6-9-15(10-14)13(3)12(2)11-16-4/h6,8-10,12-13,16H,5,7,11H2,1-4H3
InChIKeyNBPPAZKPJUYSKO-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546427
2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546394
1-(3-chlorobutan-2-yl)-3-propylbenzene
CID 116545543
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
N,2-dimethyl-3-(3-methylphenyl)butan-1-amine
CID 81016539
1-(3-propylphenyl)ethanamine
CID 116543909
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
2-(3-ethylphenyl)-N-methylpropan-1-amine
CID 105425624
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
2-(3-propylphenyl)propanal
CID 105436614
N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
CID 116545342

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(3-propylphenyl)butan-1-amine?
The IUPAC name of N,2-dimethyl-3-(3-propylphenyl)butan-1-amine (CID 116546425) is N,2-dimethyl-3-(3-propylphenyl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(3-propylphenyl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(3-propylphenyl)butan-1-amine is CCCc1cccc(C(C)C(C)CNC)c1.
What is the InChIKey of N,2-dimethyl-3-(3-propylphenyl)butan-1-amine?
The InChIKey is NBPPAZKPJUYSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-7-14-8-6-9-15(10-14)13(3)12(2)11-16-4/h6,8-10,12-13,16H,5,7,11H2,1-4H3.
What are the key properties of N,2-dimethyl-3-(3-propylphenyl)butan-1-amine?
N,2-dimethyl-3-(3-propylphenyl)butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(3-propylphenyl)butan-1-amine is sourced from PubChem (CID 116546425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).