N-(ethylsulfanylmethyl)-N-propylpropan-1-amine

C9H21NS — CID 20656534

IUPACN-(ethylsulfanylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)CSCC
InChIInChI=1S/C9H21NS/c1-4-7-10(8-5-2)9-11-6-3/h4-9H2,1-3H3
InChIKeyLXVSIGAMRSEOPV-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.82
Rot. Bonds7

About N-(ethylsulfanylmethyl)-N-propylpropan-1-amine

N-(ethylsulfanylmethyl)-N-propylpropan-1-amine (PubChem CID 20656534) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N-(ethylsulfanylmethyl)-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-(ethylsulfanylmethyl)-N-propylpropan-1-amine
PubChem CID20656534
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN-(ethylsulfanylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)CSCC
InChIInChI=1S/C9H21NS/c1-4-7-10(8-5-2)9-11-6-3/h4-9H2,1-3H3
InChIKeyLXVSIGAMRSEOPV-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfanylmethyl)-N-propylpropan-1-amine?
The IUPAC name of N-(ethylsulfanylmethyl)-N-propylpropan-1-amine (CID 20656534) is N-(ethylsulfanylmethyl)-N-propylpropan-1-amine.
What is the SMILES notation for N-(ethylsulfanylmethyl)-N-propylpropan-1-amine?
The canonical SMILES for N-(ethylsulfanylmethyl)-N-propylpropan-1-amine is CCCN(CCC)CSCC.
What is the InChIKey of N-(ethylsulfanylmethyl)-N-propylpropan-1-amine?
The InChIKey is LXVSIGAMRSEOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-4-7-10(8-5-2)9-11-6-3/h4-9H2,1-3H3.
What are the key properties of N-(ethylsulfanylmethyl)-N-propylpropan-1-amine?
N-(ethylsulfanylmethyl)-N-propylpropan-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfanylmethyl)-N-propylpropan-1-amine is sourced from PubChem (CID 20656534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).