2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine

C10H22ClNS — CID 107155611

IUPAC2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine
SMILESCSCCNCC(Cl)CC(C)(C)C
InChIInChI=1S/C10H22ClNS/c1-10(2,3)7-9(11)8-12-5-6-13-4/h9,12H,5-8H2,1-4H3
InChIKeyORYBGCHKVBZFNP-UHFFFAOYSA-N
MW223.81 g/mol
LogP2.98
Rot. Bonds6

About 2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine

2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine (PubChem CID 107155611) has the molecular formula C10H22ClNS and a molecular weight of 223.81 g/mol. Its IUPAC name is 2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine.

Molecular Properties

Compound Name2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine
PubChem CID107155611
Molecular FormulaC10H22ClNS
Molecular Weight223.81 g/mol
Exact Mass223.12
IUPAC Name2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine
SMILESCSCCNCC(Cl)CC(C)(C)C
InChIInChI=1S/C10H22ClNS/c1-10(2,3)7-9(11)8-12-5-6-13-4/h9,12H,5-8H2,1-4H3
InChIKeyORYBGCHKVBZFNP-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,4-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 107155576
2-chloro-4,4-dimethyl-N-pentylpentan-1-amine
CID 107155629
N-(2-chloro-4,4-dimethylpentyl)dodecan-1-amine
CID 107155628
N-(2-chloro-4,4-dimethylpentyl)octan-1-amine
CID 107155580
2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine
CID 107155601
2-chloro-N,4,4-trimethylpentan-1-amine
CID 107155762
2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine
CID 107155670
2-chloro-4,4-dimethyl-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107155778
4,4-dimethyl-1-methylsulfanylpentan-2-amine
CID 117241768
ethane;N-(2-methylsulfanylethyl)propan-1-amine
CID 144962889
3,3-dimethyl-4-(2-methylsulfanylethylamino)butan-1-ol
CID 106146552
2-methyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]butan-2-ol
CID 79356294

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine?
The IUPAC name of 2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine (CID 107155611) is 2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine.
What is the SMILES notation for 2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine?
The canonical SMILES for 2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine is CSCCNCC(Cl)CC(C)(C)C.
What is the InChIKey of 2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine?
The InChIKey is ORYBGCHKVBZFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNS/c1-10(2,3)7-9(11)8-12-5-6-13-4/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine?
2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine has a molecular weight of 223.81 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine is sourced from PubChem (CID 107155611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).