5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine

C10H19Cl2N — CID 106140982

IUPAC5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine
SMILESCC(C)(CCCCl)CNC/C=C/Cl
InChIInChI=1S/C10H19Cl2N/c1-10(2,5-3-6-11)9-13-8-4-7-12/h4,7,13H,3,5-6,8-9H2,1-2H3/b7-4+
InChIKeyFHQGQLFKASLDNX-QPJJXVBHSA-N
MW224.17 g/mol
LogP3.37
Rot. Bonds7

About 5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine

5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine (PubChem CID 106140982) has the molecular formula C10H19Cl2N and a molecular weight of 224.17 g/mol. Its IUPAC name is 5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine
PubChem CID106140982
Molecular FormulaC10H19Cl2N
Molecular Weight224.17 g/mol
Exact Mass223.09
IUPAC Name5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine
SMILESCC(C)(CCCCl)CNC/C=C/Cl
InChIInChI=1S/C10H19Cl2N/c1-10(2,5-3-6-11)9-13-8-4-7-12/h4,7,13H,3,5-6,8-9H2,1-2H3/b7-4+
InChIKeyFHQGQLFKASLDNX-QPJJXVBHSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 53.37
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'}

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Related Compounds

5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine
CID 106140659
5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
CID 106141095
5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 106140823
5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine
CID 106141056
6-(3-chloroprop-2-enylamino)-4,4-dimethylhexanoic acid
CID 77064599
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine
CID 106140684
3-[[(E)-4-chlorobut-2-enyl]amino]-2,2-dimethylpropan-1-ol
CID 115359755
5-chloro-2,2-dimethyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106140789
4,4-dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093
5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
CID 106141093
N-[(5-bromo-3-pyridinyl)methyl]-5-chloro-2,2-dimethylpentan-1-amine
CID 106140672

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine (CID 106140982) is 5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine is CC(C)(CCCCl)CNC/C=C/Cl.
What is the InChIKey of 5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine?
The InChIKey is FHQGQLFKASLDNX-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H19Cl2N/c1-10(2,5-3-6-11)9-13-8-4-7-12/h4,7,13H,3,5-6,8-9H2,1-2H3/b7-4+.
What are the key properties of 5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine?
5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine has a molecular weight of 224.17 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 106140982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).