2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane

C23H53NS — CID 91482705

IUPAC2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane
SMILESCCCCCCCC(C)C.CCCN(C)CCC.CCCSCCC
InChIInChI=1S/C10H22.C7H17N.C6H14S/c1-4-5-6-7-8-9-10(2)3;1-4-6-8(3)7-5-2;1-3-5-7-6-4-2/h10H,4-9H2,1-3H3;4-7H2,1-3H3;3-6H2,1-2H3
InChIKeyGDHINWODIGNUQP-UHFFFAOYSA-N
MW375.75 g/mol
LogP8.28
Rot. Bonds14

About 2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane

2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane (PubChem CID 91482705) has the molecular formula C23H53NS and a molecular weight of 375.75 g/mol. Its IUPAC name is 2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane.

Molecular Properties

Compound Name2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane
PubChem CID91482705
Molecular FormulaC23H53NS
Molecular Weight375.75 g/mol
Exact Mass375.39
IUPAC Name2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane
SMILESCCCCCCCC(C)C.CCCN(C)CCC.CCCSCCC
InChIInChI=1S/C10H22.C7H17N.C6H14S/c1-4-5-6-7-8-9-10(2)3;1-4-6-8(3)7-5-2;1-3-5-7-6-4-2/h10H,4-9H2,1-3H3;4-7H2,1-3H3;3-6H2,1-2H3
InChIKeyGDHINWODIGNUQP-UHFFFAOYSA-N
XLogP8.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.75
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane?
The IUPAC name of 2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane (CID 91482705) is 2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane.
What is the SMILES notation for 2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane?
The canonical SMILES for 2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane is CCCCCCCC(C)C.CCCN(C)CCC.CCCSCCC.
What is the InChIKey of 2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane?
The InChIKey is GDHINWODIGNUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C7H17N.C6H14S/c1-4-5-6-7-8-9-10(2)3;1-4-6-8(3)7-5-2;1-3-5-7-6-4-2/h10H,4-9H2,1-3H3;4-7H2,1-3H3;3-6H2,1-2H3.
What are the key properties of 2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane?
2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane has a molecular weight of 375.75 g/mol, XLogP of 8.28, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnonane;N-methyl-N-propylpropan-1-amine;1-propylsulfanylpropane is sourced from PubChem (CID 91482705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).