N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine

C15H25NS — CID 143113319

IUPACN-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine
SMILESCC(C)SCCCCN(C)Cc1ccccc1
InChIInChI=1S/C15H25NS/c1-14(2)17-12-8-7-11-16(3)13-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3
InChIKeyCLKLJQBRDUAVFI-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.04
Rot. Bonds8

About N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine

N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine (PubChem CID 143113319) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine
PubChem CID143113319
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine
SMILESCC(C)SCCCCN(C)Cc1ccccc1
InChIInChI=1S/C15H25NS/c1-14(2)17-12-8-7-11-16(3)13-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3
InChIKeyCLKLJQBRDUAVFI-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021
7-[benzyl(methyl)amino]heptanenitrile
CID 10680989
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
CID 43760711
N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine
CID 100998037
4-[4-[benzyl(methyl)amino]butyl]phenol
CID 82188000
N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine
CID 10087441
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine?
The IUPAC name of N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine (CID 143113319) is N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine?
The canonical SMILES for N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine is CC(C)SCCCCN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine?
The InChIKey is CLKLJQBRDUAVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-14(2)17-12-8-7-11-16(3)13-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine?
N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 143113319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).