N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine

C13H27IN2O — CID 107845055

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
SMILESCCN1CCOC(CNCCCCCCI)C1
InChIInChI=1S/C13H27IN2O/c1-2-16-9-10-17-13(12-16)11-15-8-6-4-3-5-7-14/h13,15H,2-12H2,1H3
InChIKeyKRRZYNZIXKMJDC-UHFFFAOYSA-N
MW354.28 g/mol
LogP2.29
Rot. Bonds9

About N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine

N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine (PubChem CID 107845055) has the molecular formula C13H27IN2O and a molecular weight of 354.28 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
PubChem CID107845055
Molecular FormulaC13H27IN2O
Molecular Weight354.28 g/mol
Exact Mass354.12
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
SMILESCCN1CCOC(CNCCCCCCI)C1
InChIInChI=1S/C13H27IN2O/c1-2-16-9-10-17-13(12-16)11-15-8-6-4-3-5-7-14/h13,15H,2-12H2,1H3
InChIKeyKRRZYNZIXKMJDC-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine
CID 114399789
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810
2-cyclopentyloxy-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79164427
N-[(4-ethylmorpholin-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 115626301
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
N-cyclopropyl-4-[(4-ethylmorpholin-2-yl)methylamino]butanamide
CID 79393887
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
CID 114399643

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine (CID 107845055) is N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine is CCN1CCOC(CNCCCCCCI)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine?
The InChIKey is KRRZYNZIXKMJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27IN2O/c1-2-16-9-10-17-13(12-16)11-15-8-6-4-3-5-7-14/h13,15H,2-12H2,1H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine has a molecular weight of 354.28 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine is sourced from PubChem (CID 107845055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).