(4-chlorooxan-4-yl)methanamine;hydrochloride

C6H13Cl2NO — CID 146050323

IUPAC(4-chlorooxan-4-yl)methanamine;hydrochloride
SMILESCl.NCC1(Cl)CCOCC1
InChIInChI=1S/C6H12ClNO.ClH/c7-6(5-8)1-3-9-4-2-6;/h1-5,8H2;1H
InChIKeyJDAFTIWFDBYIJS-UHFFFAOYSA-N
MW186.08 g/mol
LogP1.15
Rot. Bonds1

About (4-chlorooxan-4-yl)methanamine;hydrochloride

(4-chlorooxan-4-yl)methanamine;hydrochloride (PubChem CID 146050323) has the molecular formula C6H13Cl2NO and a molecular weight of 186.08 g/mol. Its IUPAC name is (4-chlorooxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-chlorooxan-4-yl)methanamine;hydrochloride
PubChem CID146050323
Molecular FormulaC6H13Cl2NO
Molecular Weight186.08 g/mol
Exact Mass185.04
IUPAC Name(4-chlorooxan-4-yl)methanamine;hydrochloride
SMILESCl.NCC1(Cl)CCOCC1
InChIInChI=1S/C6H12ClNO.ClH/c7-6(5-8)1-3-9-4-2-6;/h1-5,8H2;1H
InChIKeyJDAFTIWFDBYIJS-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)oxan-4-amine
CID 43608727
4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride
CID 72942834
3-(aminomethyl)oxolan-3-amine;dihydrochloride
CID 118166236
[4-(trifluoromethyl)oxan-4-yl]methanamine
CID 82601558
[4-(difluoromethyl)oxan-4-yl]methanamine
CID 130738015
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride
CID 45260303
[4-(3-methylbutan-2-yl)oxan-4-yl]methanamine
CID 130647540
(4-pyridin-4-yloxan-4-yl)methanamine
CID 80524202
(3S)-3-(aminomethyl)oxolan-3-ol
CID 95305956
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
[4-(cyclopentylmethyl)oxan-4-yl]methanamine
CID 62905905

Frequently Asked Questions

What is the IUPAC name of (4-chlorooxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (4-chlorooxan-4-yl)methanamine;hydrochloride (CID 146050323) is (4-chlorooxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-chlorooxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (4-chlorooxan-4-yl)methanamine;hydrochloride is Cl.NCC1(Cl)CCOCC1.
What is the InChIKey of (4-chlorooxan-4-yl)methanamine;hydrochloride?
The InChIKey is JDAFTIWFDBYIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO.ClH/c7-6(5-8)1-3-9-4-2-6;/h1-5,8H2;1H.
What are the key properties of (4-chlorooxan-4-yl)methanamine;hydrochloride?
(4-chlorooxan-4-yl)methanamine;hydrochloride has a molecular weight of 186.08 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorooxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 146050323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).