(3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine

C6H10ClN — CID 171084354

IUPAC(3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine
SMILESNCC12CC(Cl)(C1)C2
InChIInChI=1S/C6H10ClN/c7-6-1-5(2-6,3-6)4-8/h1-4,8H2
InChIKeyUFTOXZBNQIXRSG-UHFFFAOYSA-N
MW131.61 g/mol
LogP1.11
Rot. Bonds1

About (3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine

(3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine (PubChem CID 171084354) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is (3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine.

Molecular Properties

Compound Name(3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine
PubChem CID171084354
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name(3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine
SMILESNCC12CC(Cl)(C1)C2
InChIInChI=1S/C6H10ClN/c7-6-1-5(2-6,3-6)4-8/h1-4,8H2
InChIKeyUFTOXZBNQIXRSG-UHFFFAOYSA-N
XLogP1.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 51.11
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

bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride
CID 134128348
[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
CID 155893295
N-[(3-chloro-1-bicyclo[1.1.1]pentanyl)methyl]-N-methylacetamide
CID 118941190
[2-(3-chloro-1-bicyclo[1.1.1]pentanyl)cyclohexen-1-yl]methanamine
CID 155632515
(5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
CID 162367528
(5S,7R)-3-(aminomethyl)adamantan-1-amine
CID 818515
(4-chlorooxan-4-yl)methanamine;hydrochloride
CID 146050323
(3-chloro-1-adamantyl)methylazanium
CID 4061294
(3-fluoro-1-adamantyl)methanamine;hydrochloride
CID 176689228
4-(aminomethyl)-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride
CID 154853032
2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine
CID 122163469
1-chloro-4-[[(4-chloro-1-bicyclo[2.2.2]octanyl)methyldisulfanyl]methyl]bicyclo[2.2.2]octane
CID 101120747

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine?
The IUPAC name of (3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine (CID 171084354) is (3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine.
What is the SMILES notation for (3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine?
The canonical SMILES for (3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine is NCC12CC(Cl)(C1)C2.
What is the InChIKey of (3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine?
The InChIKey is UFTOXZBNQIXRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN/c7-6-1-5(2-6,3-6)4-8/h1-4,8H2.
What are the key properties of (3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine?
(3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine has a molecular weight of 131.61 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine is sourced from PubChem (CID 171084354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).