1-chloro-N-methyl-N-prop-2-enylpropan-2-amine

C7H14ClN — CID 104555147

IUPAC1-chloro-N-methyl-N-prop-2-enylpropan-2-amine
SMILESC=CCN(C)C(C)CCl
InChIInChI=1S/C7H14ClN/c1-4-5-9(3)7(2)6-8/h4,7H,1,5-6H2,2-3H3
InChIKeyBHDUBMXTHJIVIT-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.73
Rot. Bonds4

About 1-chloro-N-methyl-N-prop-2-enylpropan-2-amine

1-chloro-N-methyl-N-prop-2-enylpropan-2-amine (PubChem CID 104555147) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-methyl-N-prop-2-enylpropan-2-amine
PubChem CID104555147
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name1-chloro-N-methyl-N-prop-2-enylpropan-2-amine
SMILESC=CCN(C)C(C)CCl
InChIInChI=1S/C7H14ClN/c1-4-5-9(3)7(2)6-8/h4,7H,1,5-6H2,2-3H3
InChIKeyBHDUBMXTHJIVIT-UHFFFAOYSA-N
XLogP1.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-prop-2-enylpropan-2-amine?
The IUPAC name of 1-chloro-N-methyl-N-prop-2-enylpropan-2-amine (CID 104555147) is 1-chloro-N-methyl-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-methyl-N-prop-2-enylpropan-2-amine?
The canonical SMILES for 1-chloro-N-methyl-N-prop-2-enylpropan-2-amine is C=CCN(C)C(C)CCl.
What is the InChIKey of 1-chloro-N-methyl-N-prop-2-enylpropan-2-amine?
The InChIKey is BHDUBMXTHJIVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN/c1-4-5-9(3)7(2)6-8/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1-chloro-N-methyl-N-prop-2-enylpropan-2-amine?
1-chloro-N-methyl-N-prop-2-enylpropan-2-amine has a molecular weight of 147.65 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 104555147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).