N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine

C17H36N2O — CID 158506783

IUPACN-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCN1CCO[C@@H](CCCC(C)(C)C)C1
InChIInChI=1S/C17H36N2O/c1-15(2)13-18-9-10-19-11-12-20-16(14-19)7-6-8-17(3,4)5/h15-16,18H,6-14H2,1-5H3/t16-/m0/s1
InChIKeyHKOCYZQATVLHFZ-INIZCTEOSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds8

About N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine

N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 158506783) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine
PubChem CID158506783
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCN1CCO[C@@H](CCCC(C)(C)C)C1
InChIInChI=1S/C17H36N2O/c1-15(2)13-18-9-10-19-11-12-20-16(14-19)7-6-8-17(3,4)5/h15-16,18H,6-14H2,1-5H3/t16-/m0/s1
InChIKeyHKOCYZQATVLHFZ-INIZCTEOSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine (CID 158506783) is N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine is CC(C)CNCCN1CCO[C@@H](CCCC(C)(C)C)C1.
What is the InChIKey of N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is HKOCYZQATVLHFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H36N2O/c1-15(2)13-18-9-10-19-11-12-20-16(14-19)7-6-8-17(3,4)5/h15-16,18H,6-14H2,1-5H3/t16-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine?
N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 158506783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).