1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine

C14H29ClN2O — CID 114152955

IUPAC1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine
SMILESCCC(C)(CCCl)NCC1CN(C(C)C)CCO1
InChIInChI=1S/C14H29ClN2O/c1-5-14(4,6-7-15)16-10-13-11-17(12(2)3)8-9-18-13/h12-13,16H,5-11H2,1-4H3
InChIKeyWZENPUCXCZWEDS-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.48
Rot. Bonds7

About 1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine

1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine (PubChem CID 114152955) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine
PubChem CID114152955
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine
SMILESCCC(C)(CCCl)NCC1CN(C(C)C)CCO1
InChIInChI=1S/C14H29ClN2O/c1-5-14(4,6-7-15)16-10-13-11-17(12(2)3)8-9-18-13/h12-13,16H,5-11H2,1-4H3
InChIKeyWZENPUCXCZWEDS-UHFFFAOYSA-N
XLogP2.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine?
The IUPAC name of 1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine (CID 114152955) is 1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine is CCC(C)(CCCl)NCC1CN(C(C)C)CCO1.
What is the InChIKey of 1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine?
The InChIKey is WZENPUCXCZWEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClN2O/c1-5-14(4,6-7-15)16-10-13-11-17(12(2)3)8-9-18-13/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine?
1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine has a molecular weight of 276.85 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 114152955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).