2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine

C10H20ClN — CID 107155670

IUPAC2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine
SMILESC=CCNCC(Cl)CC(C)(C)C
InChIInChI=1S/C10H20ClN/c1-5-6-12-8-9(11)7-10(2,3)4/h5,9,12H,1,6-8H2,2-4H3
InChIKeyRWAHZDZYGXNKDL-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.81
Rot. Bonds5

About 2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine

2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine (PubChem CID 107155670) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine.

Molecular Properties

Compound Name2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine
PubChem CID107155670
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine
SMILESC=CCNCC(Cl)CC(C)(C)C
InChIInChI=1S/C10H20ClN/c1-5-6-12-8-9(11)7-10(2,3)4/h5,9,12H,1,6-8H2,2-4H3
InChIKeyRWAHZDZYGXNKDL-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,4-dimethyl-N-pentylpentan-1-amine
CID 107155629
2-chloro-N-(2-ethylbutyl)-4,4-dimethylpentan-1-amine
CID 107155601
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,4,4-trimethylpentan-1-amine
CID 107155762
2-chloro-4,4-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 107155576
2-chloro-4,4-dimethyl-N-(2-methylsulfanylethyl)pentan-1-amine
CID 107155611
2-methyl-3-(prop-2-enylamino)propan-1-ol
CID 65036515
2,3-dimethyl-N-prop-2-enylpentan-1-amine
CID 10057996
2-propan-2-ylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62579087
2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
2-chloro-4,4-dimethyl-N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 107155778

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine?
The IUPAC name of 2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine (CID 107155670) is 2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine.
What is the SMILES notation for 2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine?
The canonical SMILES for 2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine is C=CCNCC(Cl)CC(C)(C)C.
What is the InChIKey of 2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine?
The InChIKey is RWAHZDZYGXNKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c1-5-6-12-8-9(11)7-10(2,3)4/h5,9,12H,1,6-8H2,2-4H3.
What are the key properties of 2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine?
2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine has a molecular weight of 189.73 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,4-dimethyl-N-prop-2-enylpentan-1-amine is sourced from PubChem (CID 107155670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).