N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine

C14H21NS — CID 79983696

IUPACN-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1cccc(C2CC2)c1
InChIInChI=1S/C14H21NS/c1-16-9-3-8-15-11-12-4-2-5-14(10-12)13-6-7-13/h2,4-5,10,13,15H,3,6-9,11H2,1H3
InChIKeyKVBOJYZIIRFGEK-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.41
Rot. Bonds7

About N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine

N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 79983696) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
PubChem CID79983696
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1cccc(C2CC2)c1
InChIInChI=1S/C14H21NS/c1-16-9-3-8-15-11-12-4-2-5-14(10-12)13-6-7-13/h2,4-5,10,13,15H,3,6-9,11H2,1H3
InChIKeyKVBOJYZIIRFGEK-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79979264
2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978936
3-[(4-methylsulfanylbutylamino)methyl]phenol
CID 115639371
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
N-[(3-bromophenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923082
3-[(3-methylsulfanylpropylamino)methyl]benzamide
CID 43426792
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
N-(1,3-benzodioxol-5-ylmethyl)-3-methylsulfanylpropan-1-amine
CID 28650077

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine (CID 79983696) is N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine is CSCCCNCc1cccc(C2CC2)c1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is KVBOJYZIIRFGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-16-9-3-8-15-11-12-4-2-5-14(10-12)13-6-7-13/h2,4-5,10,13,15H,3,6-9,11H2,1H3.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine?
N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 79983696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).