(3-aminoazepan-3-yl)methanol

C7H16N2O — CID 155145566

IUPAC(3-aminoazepan-3-yl)methanol
SMILESNC1(CO)CCCCNC1
InChIInChI=1S/C7H16N2O/c8-7(6-10)3-1-2-4-9-5-7/h9-10H,1-6,8H2
InChIKeyCPJIOMFLLFMEOL-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.55
Rot. Bonds1

About (3-aminoazepan-3-yl)methanol

(3-aminoazepan-3-yl)methanol (PubChem CID 155145566) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (3-aminoazepan-3-yl)methanol.

Molecular Properties

Compound Name(3-aminoazepan-3-yl)methanol
PubChem CID155145566
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(3-aminoazepan-3-yl)methanol
SMILESNC1(CO)CCCCNC1
InChIInChI=1S/C7H16N2O/c8-7(6-10)3-1-2-4-9-5-7/h9-10H,1-6,8H2
InChIKeyCPJIOMFLLFMEOL-UHFFFAOYSA-N
XLogP-0.55
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminoazepan-3-yl)methanol?
The IUPAC name of (3-aminoazepan-3-yl)methanol (CID 155145566) is (3-aminoazepan-3-yl)methanol.
What is the SMILES notation for (3-aminoazepan-3-yl)methanol?
The canonical SMILES for (3-aminoazepan-3-yl)methanol is NC1(CO)CCCCNC1.
What is the InChIKey of (3-aminoazepan-3-yl)methanol?
The InChIKey is CPJIOMFLLFMEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c8-7(6-10)3-1-2-4-9-5-7/h9-10H,1-6,8H2.
What are the key properties of (3-aminoazepan-3-yl)methanol?
(3-aminoazepan-3-yl)methanol has a molecular weight of 144.22 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazepan-3-yl)methanol is sourced from PubChem (CID 155145566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).