N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine

C16H27NS — CID 63983409

IUPACN-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine
SMILESCCCCC(NCC(C)CSC)c1ccccc1
InChIInChI=1S/C16H27NS/c1-4-5-11-16(15-9-7-6-8-10-15)17-12-14(2)13-18-3/h6-10,14,16-17H,4-5,11-13H2,1-3H3
InChIKeyOIIAAIAEKWVDHS-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.51
Rot. Bonds9

About N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine

N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine (PubChem CID 63983409) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine
PubChem CID63983409
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine
SMILESCCCCC(NCC(C)CSC)c1ccccc1
InChIInChI=1S/C16H27NS/c1-4-5-11-16(15-9-7-6-8-10-15)17-12-14(2)13-18-3/h6-10,14,16-17H,4-5,11-13H2,1-3H3
InChIKeyOIIAAIAEKWVDHS-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxypropyl)-1-phenylpentan-1-amine
CID 102696616
3-methyl-4-(1-phenylhexylamino)butan-1-ol
CID 66091324
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-phenylpentan-1-amine
CID 63463886
N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine
CID 113494589
1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 79139729
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine
CID 63980863
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
3-(1-phenylhexylamino)propane-1,2-diol
CID 66176548
N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757523

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine (CID 63983409) is N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine is CCCCC(NCC(C)CSC)c1ccccc1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine?
The InChIKey is OIIAAIAEKWVDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-5-11-16(15-9-7-6-8-10-15)17-12-14(2)13-18-3/h6-10,14,16-17H,4-5,11-13H2,1-3H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine?
N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine is sourced from PubChem (CID 63983409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).