5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine

C19H31NS — CID 105139780

IUPAC5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine
SMILESCCCNC(CCCc1ccccc1)CC1CCSCC1
InChIInChI=1S/C19H31NS/c1-2-13-20-19(16-18-11-14-21-15-12-18)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,18-20H,2,6,9-16H2,1H3
InChIKeyAVKFBRRALGGRQU-UHFFFAOYSA-N
MW305.53 g/mol
LogP4.91
Rot. Bonds9

About 5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine

5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine (PubChem CID 105139780) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is 5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine.

Molecular Properties

Compound Name5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine
PubChem CID105139780
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine
SMILESCCCNC(CCCc1ccccc1)CC1CCSCC1
InChIInChI=1S/C19H31NS/c1-2-13-20-19(16-18-11-14-21-15-12-18)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,18-20H,2,6,9-16H2,1H3
InChIKeyAVKFBRRALGGRQU-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
CID 63415913
5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105112949
1-(3,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105412607
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105138992
N-ethyl-1-(thian-4-yl)nonan-2-amine
CID 105125122
N-(2-phenylethyl)octan-4-amine
CID 11128217

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine?
The IUPAC name of 5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine (CID 105139780) is 5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine.
What is the SMILES notation for 5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine?
The canonical SMILES for 5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine is CCCNC(CCCc1ccccc1)CC1CCSCC1.
What is the InChIKey of 5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine?
The InChIKey is AVKFBRRALGGRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-2-13-20-19(16-18-11-14-21-15-12-18)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,18-20H,2,6,9-16H2,1H3.
What are the key properties of 5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine?
5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine has a molecular weight of 305.53 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine is sourced from PubChem (CID 105139780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).