3-methyl-1-(3-propylphenyl)pentan-1-amine

C15H25N — CID 105050445

IUPAC3-methyl-1-(3-propylphenyl)pentan-1-amine
SMILESCCCc1cccc(C(N)CC(C)CC)c1
InChIInChI=1S/C15H25N/c1-4-7-13-8-6-9-14(11-13)15(16)10-12(3)5-2/h6,8-9,11-12,15H,4-5,7,10,16H2,1-3H3
InChIKeyBBQXBXZFKACUIP-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.08
Rot. Bonds6

About 3-methyl-1-(3-propylphenyl)pentan-1-amine

3-methyl-1-(3-propylphenyl)pentan-1-amine (PubChem CID 105050445) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-methyl-1-(3-propylphenyl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(3-propylphenyl)pentan-1-amine
PubChem CID105050445
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-methyl-1-(3-propylphenyl)pentan-1-amine
SMILESCCCc1cccc(C(N)CC(C)CC)c1
InChIInChI=1S/C15H25N/c1-4-7-13-8-6-9-14(11-13)15(16)10-12(3)5-2/h6,8-9,11-12,15H,4-5,7,10,16H2,1-3H3
InChIKeyBBQXBXZFKACUIP-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-propylphenyl)ethanamine
CID 116543909
2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine
CID 116544446
2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine
CID 116544264
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105188013
2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546394
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523
1-(3-methylpentyl)-3-propan-2-ylbenzene
CID 168942891
1-(3-chlorobutan-2-yl)-3-propylbenzene
CID 116545543
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine
CID 116544598
3-(furan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105187906
2-(3-propylphenyl)propanal
CID 105436614

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propylphenyl)pentan-1-amine?
The IUPAC name of 3-methyl-1-(3-propylphenyl)pentan-1-amine (CID 105050445) is 3-methyl-1-(3-propylphenyl)pentan-1-amine.
What is the SMILES notation for 3-methyl-1-(3-propylphenyl)pentan-1-amine?
The canonical SMILES for 3-methyl-1-(3-propylphenyl)pentan-1-amine is CCCc1cccc(C(N)CC(C)CC)c1.
What is the InChIKey of 3-methyl-1-(3-propylphenyl)pentan-1-amine?
The InChIKey is BBQXBXZFKACUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-7-13-8-6-9-14(11-13)15(16)10-12(3)5-2/h6,8-9,11-12,15H,4-5,7,10,16H2,1-3H3.
What are the key properties of 3-methyl-1-(3-propylphenyl)pentan-1-amine?
3-methyl-1-(3-propylphenyl)pentan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propylphenyl)pentan-1-amine is sourced from PubChem (CID 105050445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).