5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine

C11H22BrNO — CID 107320411

IUPAC5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine
SMILESBrCCCCCNCC1CCOCC1
InChIInChI=1S/C11H22BrNO/c12-6-2-1-3-7-13-10-11-4-8-14-9-5-11/h11,13H,1-10H2
InChIKeyDKBHOEVBDZNQCY-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.57
Rot. Bonds7

About 5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine

5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine (PubChem CID 107320411) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine
PubChem CID107320411
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine
SMILESBrCCCCCNCC1CCOCC1
InChIInChI=1S/C11H22BrNO/c12-6-2-1-3-7-13-10-11-4-8-14-9-5-11/h11,13H,1-10H2
InChIKeyDKBHOEVBDZNQCY-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(oxan-4-ylmethylamino)pentan-1-ol
CID 63711155
5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
CID 115685550
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol
CID 115685739
N-(4-bromobutyl)oxane-4-carboxamide
CID 106845809
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
5-bromo-N-(2-cyclopropylethyl)pentan-1-amine
CID 107320343
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386835
N-(6-bromohexyl)oxane-4-sulfonamide
CID 107848871
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine?
The IUPAC name of 5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine (CID 107320411) is 5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine?
The canonical SMILES for 5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine is BrCCCCCNCC1CCOCC1.
What is the InChIKey of 5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine?
The InChIKey is DKBHOEVBDZNQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c12-6-2-1-3-7-13-10-11-4-8-14-9-5-11/h11,13H,1-10H2.
What are the key properties of 5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine?
5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine has a molecular weight of 264.21 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 107320411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).