(3-amino-1-ethylazepan-3-yl)methanol

C9H20N2O — CID 142901054

IUPAC(3-amino-1-ethylazepan-3-yl)methanol
SMILESCCN1CCCCC(N)(CO)C1
InChIInChI=1S/C9H20N2O/c1-2-11-6-4-3-5-9(10,7-11)8-12/h12H,2-8,10H2,1H3
InChIKeyBFQFQMUTWJTYOI-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds2

About (3-amino-1-ethylazepan-3-yl)methanol

(3-amino-1-ethylazepan-3-yl)methanol (PubChem CID 142901054) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3-amino-1-ethylazepan-3-yl)methanol.

Molecular Properties

Compound Name(3-amino-1-ethylazepan-3-yl)methanol
PubChem CID142901054
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3-amino-1-ethylazepan-3-yl)methanol
SMILESCCN1CCCCC(N)(CO)C1
InChIInChI=1S/C9H20N2O/c1-2-11-6-4-3-5-9(10,7-11)8-12/h12H,2-8,10H2,1H3
InChIKeyBFQFQMUTWJTYOI-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-ethylazepan-3-yl)methanol?
The IUPAC name of (3-amino-1-ethylazepan-3-yl)methanol (CID 142901054) is (3-amino-1-ethylazepan-3-yl)methanol.
What is the SMILES notation for (3-amino-1-ethylazepan-3-yl)methanol?
The canonical SMILES for (3-amino-1-ethylazepan-3-yl)methanol is CCN1CCCCC(N)(CO)C1.
What is the InChIKey of (3-amino-1-ethylazepan-3-yl)methanol?
The InChIKey is BFQFQMUTWJTYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-11-6-4-3-5-9(10,7-11)8-12/h12H,2-8,10H2,1H3.
What are the key properties of (3-amino-1-ethylazepan-3-yl)methanol?
(3-amino-1-ethylazepan-3-yl)methanol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-ethylazepan-3-yl)methanol is sourced from PubChem (CID 142901054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).