4-(azepan-4-ylamino)butan-2-ol

C10H22N2O — CID 103982285

IUPAC4-(azepan-4-ylamino)butan-2-ol
SMILESCC(O)CCNC1CCCNCC1
InChIInChI=1S/C10H22N2O/c1-9(13)4-8-12-10-3-2-6-11-7-5-10/h9-13H,2-8H2,1H3
InChIKeyGOBQMFIZISNZPD-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.49
Rot. Bonds4

About 4-(azepan-4-ylamino)butan-2-ol

4-(azepan-4-ylamino)butan-2-ol (PubChem CID 103982285) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-(azepan-4-ylamino)butan-2-ol.

Molecular Properties

Compound Name4-(azepan-4-ylamino)butan-2-ol
PubChem CID103982285
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-(azepan-4-ylamino)butan-2-ol
SMILESCC(O)CCNC1CCCNCC1
InChIInChI=1S/C10H22N2O/c1-9(13)4-8-12-10-3-2-6-11-7-5-10/h9-13H,2-8H2,1H3
InChIKeyGOBQMFIZISNZPD-UHFFFAOYSA-N
XLogP0.49
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-4-ylamino)butan-2-ol?
The IUPAC name of 4-(azepan-4-ylamino)butan-2-ol (CID 103982285) is 4-(azepan-4-ylamino)butan-2-ol.
What is the SMILES notation for 4-(azepan-4-ylamino)butan-2-ol?
The canonical SMILES for 4-(azepan-4-ylamino)butan-2-ol is CC(O)CCNC1CCCNCC1.
What is the InChIKey of 4-(azepan-4-ylamino)butan-2-ol?
The InChIKey is GOBQMFIZISNZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(13)4-8-12-10-3-2-6-11-7-5-10/h9-13H,2-8H2,1H3.
What are the key properties of 4-(azepan-4-ylamino)butan-2-ol?
4-(azepan-4-ylamino)butan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-4-ylamino)butan-2-ol is sourced from PubChem (CID 103982285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).