2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine

C11H16ClN3 — CID 65025555

IUPAC2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
SMILESClC1CCCCC1NCc1ncccn1
InChIInChI=1S/C11H16ClN3/c12-9-4-1-2-5-10(9)15-8-11-13-6-3-7-14-11/h3,6-7,9-10,15H,1-2,4-5,8H2
InChIKeyZQQYNMCDSBHTDX-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.12
Rot. Bonds3

About 2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine

2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 65025555) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
PubChem CID65025555
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
SMILESClC1CCCCC1NCc1ncccn1
InChIInChI=1S/C11H16ClN3/c12-9-4-1-2-5-10(9)15-8-11-13-6-3-7-14-11/h3,6-7,9-10,15H,1-2,4-5,8H2
InChIKeyZQQYNMCDSBHTDX-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-chlorocyclohexan-1-amine
CID 65025438
2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65024511
2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65025495
N-(1,3-benzothiazol-2-ylmethyl)-2-chlorocycloheptan-1-amine
CID 104632079
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 130751518
2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65026126
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65025723
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 102879005
2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 65025552
1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine
CID 62698021
2-chloro-N-(cyclopentylmethyl)cyclohexan-1-amine
CID 65025611

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine (CID 65025555) is 2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine is ClC1CCCCC1NCc1ncccn1.
What is the InChIKey of 2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is ZQQYNMCDSBHTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-9-4-1-2-5-10(9)15-8-11-13-6-3-7-14-11/h3,6-7,9-10,15H,1-2,4-5,8H2.
What are the key properties of 2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65025555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).