N-pentylpentan-1-amine;sulfane

C10H25NS — CID 173223078

IUPACN-pentylpentan-1-amine;sulfane
SMILESCCCCCNCCCCC.S
InChIInChI=1S/C10H23N.H2S/c1-3-5-7-9-11-10-8-6-4-2;/h11H,3-10H2,1-2H3;1H2
InChIKeyQTEQUWAXHVIGMA-UHFFFAOYSA-N
MW191.38 g/mol
LogP3.07
Rot. Bonds8

About N-pentylpentan-1-amine;sulfane

N-pentylpentan-1-amine;sulfane (PubChem CID 173223078) has the molecular formula C10H25NS and a molecular weight of 191.38 g/mol. Its IUPAC name is N-pentylpentan-1-amine;sulfane.

Molecular Properties

Compound NameN-pentylpentan-1-amine;sulfane
PubChem CID173223078
Molecular FormulaC10H25NS
Molecular Weight191.38 g/mol
Exact Mass191.17
IUPAC NameN-pentylpentan-1-amine;sulfane
SMILESCCCCCNCCCCC.S
InChIInChI=1S/C10H23N.H2S/c1-3-5-7-9-11-10-8-6-4-2;/h11H,3-10H2,1-2H3;1H2
InChIKeyQTEQUWAXHVIGMA-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847

Frequently Asked Questions

What is the IUPAC name of N-pentylpentan-1-amine;sulfane?
The IUPAC name of N-pentylpentan-1-amine;sulfane (CID 173223078) is N-pentylpentan-1-amine;sulfane.
What is the SMILES notation for N-pentylpentan-1-amine;sulfane?
The canonical SMILES for N-pentylpentan-1-amine;sulfane is CCCCCNCCCCC.S.
What is the InChIKey of N-pentylpentan-1-amine;sulfane?
The InChIKey is QTEQUWAXHVIGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.H2S/c1-3-5-7-9-11-10-8-6-4-2;/h11H,3-10H2,1-2H3;1H2.
What are the key properties of N-pentylpentan-1-amine;sulfane?
N-pentylpentan-1-amine;sulfane has a molecular weight of 191.38 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylpentan-1-amine;sulfane is sourced from PubChem (CID 173223078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).