1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine

C8H12ClN — CID 58543795

IUPAC1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
SMILESClNCC1CC2C=C[C@@H]1C2
InChIInChI=1S/C8H12ClN/c9-10-5-8-4-6-1-2-7(8)3-6/h1-2,6-8,10H,3-5H2/t6?,7-,8?/m1/s1
InChIKeyFZYJQVOFDLXNDQ-ZUEIMRROSA-N
MW157.64 g/mol
LogP1.94
Rot. Bonds2

About 1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine

1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine (PubChem CID 58543795) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is 1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine.

Molecular Properties

Compound Name1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
PubChem CID58543795
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
SMILESClNCC1CC2C=C[C@@H]1C2
InChIInChI=1S/C8H12ClN/c9-10-5-8-4-6-1-2-7(8)3-6/h1-2,6-8,10H,3-5H2/t6?,7-,8?/m1/s1
InChIKeyFZYJQVOFDLXNDQ-ZUEIMRROSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 98042869
2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 7236700
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanol
CID 3154449
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine
CID 130608680
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline
CID 43760335
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine
CID 130666268
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828
CID 123207984
CID 123207984

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine?
The IUPAC name of 1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine (CID 58543795) is 1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine.
What is the SMILES notation for 1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine?
The canonical SMILES for 1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine is ClNCC1CC2C=C[C@@H]1C2.
What is the InChIKey of 1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine?
The InChIKey is FZYJQVOFDLXNDQ-ZUEIMRROSA-N. The full InChI is InChI=1S/C8H12ClN/c9-10-5-8-4-6-1-2-7(8)3-6/h1-2,6-8,10H,3-5H2/t6?,7-,8?/m1/s1.
What are the key properties of 1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine?
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine has a molecular weight of 157.64 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine is sourced from PubChem (CID 58543795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).