1-(1-aminopentan-3-yl)-4-methylazepan-4-ol

C12H26N2O — CID 107403987

IUPAC1-(1-aminopentan-3-yl)-4-methylazepan-4-ol
SMILESCCC(CCN)N1CCCC(C)(O)CC1
InChIInChI=1S/C12H26N2O/c1-3-11(5-8-13)14-9-4-6-12(2,15)7-10-14/h11,15H,3-10,13H2,1-2H3
InChIKeyJLAQGSORHJKLCY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.35
Rot. Bonds4

About 1-(1-aminopentan-3-yl)-4-methylazepan-4-ol

1-(1-aminopentan-3-yl)-4-methylazepan-4-ol (PubChem CID 107403987) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(1-aminopentan-3-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(1-aminopentan-3-yl)-4-methylazepan-4-ol
PubChem CID107403987
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(1-aminopentan-3-yl)-4-methylazepan-4-ol
SMILESCCC(CCN)N1CCCC(C)(O)CC1
InChIInChI=1S/C12H26N2O/c1-3-11(5-8-13)14-9-4-6-12(2,15)7-10-14/h11,15H,3-10,13H2,1-2H3
InChIKeyJLAQGSORHJKLCY-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-3-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(1-aminopentan-3-yl)-4-methylazepan-4-ol (CID 107403987) is 1-(1-aminopentan-3-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(1-aminopentan-3-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(1-aminopentan-3-yl)-4-methylazepan-4-ol is CCC(CCN)N1CCCC(C)(O)CC1.
What is the InChIKey of 1-(1-aminopentan-3-yl)-4-methylazepan-4-ol?
The InChIKey is JLAQGSORHJKLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-11(5-8-13)14-9-4-6-12(2,15)7-10-14/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 1-(1-aminopentan-3-yl)-4-methylazepan-4-ol?
1-(1-aminopentan-3-yl)-4-methylazepan-4-ol has a molecular weight of 214.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-3-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107403987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).