2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine

C14H27ClN2O — CID 114179245

IUPAC2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine
SMILESCC(C)N1CCOC(CNC2CCCC2CCl)C1
InChIInChI=1S/C14H27ClN2O/c1-11(2)17-6-7-18-13(10-17)9-16-14-5-3-4-12(14)8-15/h11-14,16H,3-10H2,1-2H3
InChIKeyUMZIIYVTTIVRMB-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.09
Rot. Bonds5

About 2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine

2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine (PubChem CID 114179245) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine
PubChem CID114179245
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine
SMILESCC(C)N1CCOC(CNC2CCCC2CCl)C1
InChIInChI=1S/C14H27ClN2O/c1-11(2)17-6-7-18-13(10-17)9-16-14-5-3-4-12(14)8-15/h11-14,16H,3-10H2,1-2H3
InChIKeyUMZIIYVTTIVRMB-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.09
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

2-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine
CID 64534112
3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
2-cyclopentyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535316
2-[[2-(chloromethyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 64532579
1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine
CID 114152955
2,2-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]oxan-4-amine
CID 83033331
2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 64534748
N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 64534517
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
trans-(1R,2R)-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]cyclopentan-1-amine
CID 97045044
cis-(1R,2S)-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]cyclopentan-1-amine
CID 97045045
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 82723781

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine (CID 114179245) is 2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine is CC(C)N1CCOC(CNC2CCCC2CCl)C1.
What is the InChIKey of 2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is UMZIIYVTTIVRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2O/c1-11(2)17-6-7-18-13(10-17)9-16-14-5-3-4-12(14)8-15/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine?
2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 274.84 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114179245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).