N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine

C16H33N3O — CID 64534517

IUPACN'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCC(C)N1CCOC(CNCCN(C)C2CCCC2)C1
InChIInChI=1S/C16H33N3O/c1-14(2)19-10-11-20-16(13-19)12-17-8-9-18(3)15-6-4-5-7-15/h14-17H,4-13H2,1-3H3
InChIKeyHKELVYKMKOSSAG-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.56
Rot. Bonds7

About N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 64534517) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
PubChem CID64534517
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCC(C)N1CCOC(CNCCN(C)C2CCCC2)C1
InChIInChI=1S/C16H33N3O/c1-14(2)19-10-11-20-16(13-19)12-17-8-9-18(3)15-6-4-5-7-15/h14-17H,4-13H2,1-3H3
InChIKeyHKELVYKMKOSSAG-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535316
N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79172100
3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
CID 64535121
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
CID 64534544
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106325494
2-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclopentan-1-amine
CID 64534112
1-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65109049
2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol
CID 102870051
2-(2-fluorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64534692
2-(2,4-dichlorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535306

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine (CID 64534517) is N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine is CC(C)N1CCOC(CNCCN(C)C2CCCC2)C1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is HKELVYKMKOSSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-14(2)19-10-11-20-16(13-19)12-17-8-9-18(3)15-6-4-5-7-15/h14-17H,4-13H2,1-3H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 283.46 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 64534517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).