N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine

C9H19NS — CID 155007280

IUPACN-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine
SMILESCCCCN(CC1CC1)SC
InChIInChI=1S/C9H19NS/c1-3-4-7-10(11-2)8-9-5-6-9/h9H,3-8H2,1-2H3
InChIKeyQHQMJGMRXVQLIB-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.78
Rot. Bonds6

About N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine

N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine (PubChem CID 155007280) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine
PubChem CID155007280
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine
SMILESCCCCN(CC1CC1)SC
InChIInChI=1S/C9H19NS/c1-3-4-7-10(11-2)8-9-5-6-9/h9H,3-8H2,1-2H3
InChIKeyQHQMJGMRXVQLIB-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
CID 170005611
N-butyl-N-(cyclohexylmethyl)hydroxylamine
CID 172752366
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
3-[(dibutylamino)methyl]cyclopentan-1-amine
CID 66008000
N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine
CID 94810456
N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
CID 174640221
N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine
CID 146640101
N-butyl-N-tert-butylsulfanylbutan-1-amine
CID 3028251
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine (CID 155007280) is N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine is CCCCN(CC1CC1)SC.
What is the InChIKey of N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine?
The InChIKey is QHQMJGMRXVQLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-4-7-10(11-2)8-9-5-6-9/h9H,3-8H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine?
N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine is sourced from PubChem (CID 155007280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).