N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine

C12H22ClN — CID 79550151

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
SMILESCC(CCl)CNCC1CC2CCC1C2
InChIInChI=1S/C12H22ClN/c1-9(6-13)7-14-8-12-5-10-2-3-11(12)4-10/h9-12,14H,2-8H2,1H3
InChIKeyOOSZKVJOHSKFAQ-UHFFFAOYSA-N
MW215.77 g/mol
LogP2.89
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine (PubChem CID 79550151) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
PubChem CID79550151
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
SMILESCC(CCl)CNCC1CC2CCC1C2
InChIInChI=1S/C12H22ClN/c1-9(6-13)7-14-8-12-5-10-2-3-11(12)4-10/h9-12,14H,2-8H2,1H3
InChIKeyOOSZKVJOHSKFAQ-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
CID 63681793
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dimethoxypropan-1-amine
CID 104694128
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499
ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate
CID 55232433
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)-5-chloropentan-1-amine
CID 107319933
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylamino]ethanethiol
CID 129374501
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 63681849
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79563243
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine (CID 79550151) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine is CC(CCl)CNCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine?
The InChIKey is OOSZKVJOHSKFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c1-9(6-13)7-14-8-12-5-10-2-3-11(12)4-10/h9-12,14H,2-8H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine has a molecular weight of 215.77 g/mol, XLogP of 2.89, 5 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)-3-chloro-2-methylpropan-1-amine is sourced from PubChem (CID 79550151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).