N-propylsulfanylnonan-1-amine

C12H27NS — CID 150399571

IUPACN-propylsulfanylnonan-1-amine
SMILESCCCCCCCCCNSCCC
InChIInChI=1S/C12H27NS/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h13H,3-12H2,1-2H3
InChIKeyHDMAYGNNCUFXMW-UHFFFAOYSA-N
MW217.42 g/mol
LogP4.38
Rot. Bonds11

About N-propylsulfanylnonan-1-amine

N-propylsulfanylnonan-1-amine (PubChem CID 150399571) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is N-propylsulfanylnonan-1-amine.

Molecular Properties

Compound NameN-propylsulfanylnonan-1-amine
PubChem CID150399571
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC NameN-propylsulfanylnonan-1-amine
SMILESCCCCCCCCCNSCCC
InChIInChI=1S/C12H27NS/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h13H,3-12H2,1-2H3
InChIKeyHDMAYGNNCUFXMW-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3,3-trifluoropropylsulfanyl)dodecan-1-amine
CID 166765005
N-methylsulfanylhexan-1-amine
CID 88734543
N-hydroxysulfanylhexan-1-amine
CID 89110477
N-heptylsulfanylethanamine
CID 167262676
N-undecylsulfanylethanamine
CID 21248622
N-(trifluoromethylsulfanyl)hexan-1-amine
CID 129294821
N-(trifluoromethylsulfanyl)octan-1-amine
CID 129294889
N-(3-aminopropyl)-N'-[3-[bis[3-(decylsulfanylamino)propyl]amino]propyl]butane-1,4-diamine
CID 143592687
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
1,2-diheptylhydrazine
CID 11195547
N-hexyltridecan-1-amine
CID 87659278

Frequently Asked Questions

What is the IUPAC name of N-propylsulfanylnonan-1-amine?
The IUPAC name of N-propylsulfanylnonan-1-amine (CID 150399571) is N-propylsulfanylnonan-1-amine.
What is the SMILES notation for N-propylsulfanylnonan-1-amine?
The canonical SMILES for N-propylsulfanylnonan-1-amine is CCCCCCCCCNSCCC.
What is the InChIKey of N-propylsulfanylnonan-1-amine?
The InChIKey is HDMAYGNNCUFXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h13H,3-12H2,1-2H3.
What are the key properties of N-propylsulfanylnonan-1-amine?
N-propylsulfanylnonan-1-amine has a molecular weight of 217.42 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylsulfanylnonan-1-amine is sourced from PubChem (CID 150399571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).