N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine

C13H24ClN — CID 107319933

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine
SMILESClCCCCCNCC1CC2CCC1C2
InChIInChI=1S/C13H24ClN/c14-6-2-1-3-7-15-10-13-9-11-4-5-12(13)8-11/h11-13,15H,1-10H2
InChIKeyQSEQDMDSBFKYIC-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.42
Rot. Bonds7

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine (PubChem CID 107319933) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine
PubChem CID107319933
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine
SMILESClCCCCCNCC1CC2CCC1C2
InChIInChI=1S/C13H24ClN/c14-6-2-1-3-7-15-10-13-9-11-4-5-12(13)8-11/h11-13,15H,1-10H2
InChIKeyQSEQDMDSBFKYIC-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.42
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

2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylamino]ethanethiol
CID 129374501
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 104693936
5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide
CID 77028264
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine
CID 79554753
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine
CID 63683685
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 63683145
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 104693929
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112589102
N-(2-bicyclo[2.2.1]heptanylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79554173
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine
CID 79554930

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine (CID 107319933) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine is ClCCCCCNCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine?
The InChIKey is QSEQDMDSBFKYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c14-6-2-1-3-7-15-10-13-9-11-4-5-12(13)8-11/h11-13,15H,1-10H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine has a molecular weight of 229.79 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine is sourced from PubChem (CID 107319933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).