N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine

C14H31NS — CID 63982163

IUPACN-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine
SMILESCCCCCCCC(C)NCC(C)CSC
InChIInChI=1S/C14H31NS/c1-5-6-7-8-9-10-14(3)15-11-13(2)12-16-4/h13-15H,5-12H2,1-4H3
InChIKeyGJDXVYDXNPTVSI-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.32
Rot. Bonds11

About N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine

N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine (PubChem CID 63982163) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine
PubChem CID63982163
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine
SMILESCCCCCCCC(C)NCC(C)CSC
InChIInChI=1S/C14H31NS/c1-5-6-7-8-9-10-14(3)15-11-13(2)12-16-4/h13-15H,5-12H2,1-4H3
InChIKeyGJDXVYDXNPTVSI-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-yl-N',2-dimethylpropane-1,3-diamine
CID 79201836
N-(2-methyl-3-methylsulfanylpropyl)nonan-1-amine
CID 63964508
N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
CID 63964733
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-heptan-2-ylheptan-1-amine
CID 43572726
N-propylnonan-2-amine
CID 43129664
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109334
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-[2-(2-methylbutylsulfanyl)ethyl]heptan-2-amine
CID 107757450

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine (CID 63982163) is N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine is CCCCCCCC(C)NCC(C)CSC.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine?
The InChIKey is GJDXVYDXNPTVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-5-6-7-8-9-10-14(3)15-11-13(2)12-16-4/h13-15H,5-12H2,1-4H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine?
N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine has a molecular weight of 245.48 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine is sourced from PubChem (CID 63982163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).