N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine

C16H27NS — CID 65135577

IUPACN-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)CSCC(C)C
InChIInChI=1S/C16H27NS/c1-14(2)12-18-13-16(17-3)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3
InChIKeyRSVXHECOJYUOFC-UHFFFAOYSA-N
MW265.47 g/mol
LogP3.99
Rot. Bonds9

About N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine

N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine (PubChem CID 65135577) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine
PubChem CID65135577
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine
SMILESCNC(CCCc1ccccc1)CSCC(C)C
InChIInChI=1S/C16H27NS/c1-14(2)12-18-13-16(17-3)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3
InChIKeyRSVXHECOJYUOFC-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-5-phenyl-1-propan-2-ylsulfanylpentan-2-amine
CID 65131659
1-methoxy-N-methyl-6-phenylhexan-3-amine
CID 62605190
N,3-dimethyl-6-phenylhexan-2-amine
CID 61485141
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N,3-dimethyl-6-phenylhexan-1-amine
CID 81012432
N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine
CID 65135738
1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine
CID 116661527
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816
7-methoxy-N,7-dimethyl-1-phenyloctan-4-amine
CID 103032342
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine?
The IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine (CID 65135577) is N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine?
The canonical SMILES for N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine is CNC(CCCc1ccccc1)CSCC(C)C.
What is the InChIKey of N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine?
The InChIKey is RSVXHECOJYUOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-14(2)12-18-13-16(17-3)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine?
N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine is sourced from PubChem (CID 65135577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).