4-(oxepan-4-ylamino)butan-1-ol

C10H21NO2 — CID 106841051

IUPAC4-(oxepan-4-ylamino)butan-1-ol
SMILESOCCCCNC1CCCOCC1
InChIInChI=1S/C10H21NO2/c12-7-2-1-6-11-10-4-3-8-13-9-5-10/h10-12H,1-9H2
InChIKeyCREIJKVRXXQPEA-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.92
Rot. Bonds5

About 4-(oxepan-4-ylamino)butan-1-ol

4-(oxepan-4-ylamino)butan-1-ol (PubChem CID 106841051) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(oxepan-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(oxepan-4-ylamino)butan-1-ol
PubChem CID106841051
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(oxepan-4-ylamino)butan-1-ol
SMILESOCCCCNC1CCCOCC1
InChIInChI=1S/C10H21NO2/c12-7-2-1-6-11-10-4-3-8-13-9-5-10/h10-12H,1-9H2
InChIKeyCREIJKVRXXQPEA-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(oxepan-4-ylamino)propan-1-ol
CID 65076618
4-(oxan-3-ylamino)butan-1-ol
CID 63363797
N-ethyl-N-[3-(oxepan-4-ylamino)propyl]methanesulfonamide
CID 65081506
3-(oxepan-4-ylamino)propane-1-sulfonamide
CID 65082122
3-(oxan-4-ylamino)propane-1-thiol
CID 115224666
6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
5-(azepan-4-ylamino)pentan-1-ol
CID 107316728
N-[(E)-pent-3-enyl]oxepan-4-amine
CID 115890191
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine
CID 65079654
N-(2-bromoprop-2-enyl)oxepan-4-amine
CID 115886310

Frequently Asked Questions

What is the IUPAC name of 4-(oxepan-4-ylamino)butan-1-ol?
The IUPAC name of 4-(oxepan-4-ylamino)butan-1-ol (CID 106841051) is 4-(oxepan-4-ylamino)butan-1-ol.
What is the SMILES notation for 4-(oxepan-4-ylamino)butan-1-ol?
The canonical SMILES for 4-(oxepan-4-ylamino)butan-1-ol is OCCCCNC1CCCOCC1.
What is the InChIKey of 4-(oxepan-4-ylamino)butan-1-ol?
The InChIKey is CREIJKVRXXQPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c12-7-2-1-6-11-10-4-3-8-13-9-5-10/h10-12H,1-9H2.
What are the key properties of 4-(oxepan-4-ylamino)butan-1-ol?
4-(oxepan-4-ylamino)butan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxepan-4-ylamino)butan-1-ol is sourced from PubChem (CID 106841051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).