4-benzyl-N-propylhexan-3-amine

C16H27N — CID 79307889

IUPAC4-benzyl-N-propylhexan-3-amine
SMILESCCCNC(CC)C(CC)Cc1ccccc1
InChIInChI=1S/C16H27N/c1-4-12-17-16(6-3)15(5-2)13-14-10-8-7-9-11-14/h7-11,15-17H,4-6,12-13H2,1-3H3
InChIKeyLRHWPVMQHGUSHW-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.03
Rot. Bonds8

About 4-benzyl-N-propylhexan-3-amine

4-benzyl-N-propylhexan-3-amine (PubChem CID 79307889) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-benzyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name4-benzyl-N-propylhexan-3-amine
PubChem CID79307889
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-benzyl-N-propylhexan-3-amine
SMILESCCCNC(CC)C(CC)Cc1ccccc1
InChIInChI=1S/C16H27N/c1-4-12-17-16(6-3)15(5-2)13-14-10-8-7-9-11-14/h7-11,15-17H,4-6,12-13H2,1-3H3
InChIKeyLRHWPVMQHGUSHW-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
3-benzyl-4-phenyl-N-propylbutan-2-amine
CID 66438552
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
3-methyl-1-phenyl-N-propylbut-3-en-2-amine
CID 79191049
3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine
CID 116720474
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
CID 54896933
3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 63528106
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
4-benzylhexan-3-amine
CID 79307662

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-propylhexan-3-amine?
The IUPAC name of 4-benzyl-N-propylhexan-3-amine (CID 79307889) is 4-benzyl-N-propylhexan-3-amine.
What is the SMILES notation for 4-benzyl-N-propylhexan-3-amine?
The canonical SMILES for 4-benzyl-N-propylhexan-3-amine is CCCNC(CC)C(CC)Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-propylhexan-3-amine?
The InChIKey is LRHWPVMQHGUSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-12-17-16(6-3)15(5-2)13-14-10-8-7-9-11-14/h7-11,15-17H,4-6,12-13H2,1-3H3.
What are the key properties of 4-benzyl-N-propylhexan-3-amine?
4-benzyl-N-propylhexan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-propylhexan-3-amine is sourced from PubChem (CID 79307889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).