3-amino-4-(4-ethylazepan-1-yl)butan-1-ol

C12H26N2O — CID 64898347

IUPAC3-amino-4-(4-ethylazepan-1-yl)butan-1-ol
SMILESCCC1CCCN(CC(N)CCO)CC1
InChIInChI=1S/C12H26N2O/c1-2-11-4-3-7-14(8-5-11)10-12(13)6-9-15/h11-12,15H,2-10,13H2,1H3
InChIKeyHAKLIRPNGVNQFL-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.21
Rot. Bonds5

About 3-amino-4-(4-ethylazepan-1-yl)butan-1-ol

3-amino-4-(4-ethylazepan-1-yl)butan-1-ol (PubChem CID 64898347) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-amino-4-(4-ethylazepan-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-(4-ethylazepan-1-yl)butan-1-ol
PubChem CID64898347
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-amino-4-(4-ethylazepan-1-yl)butan-1-ol
SMILESCCC1CCCN(CC(N)CCO)CC1
InChIInChI=1S/C12H26N2O/c1-2-11-4-3-7-14(8-5-11)10-12(13)6-9-15/h11-12,15H,2-10,13H2,1H3
InChIKeyHAKLIRPNGVNQFL-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
CID 114929756
1-(4-methylazepan-1-yl)pentan-2-amine
CID 63624430
3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64811056
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
3-amino-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64898995
1,4-diethylazepane
CID 67522864
1-piperidin-1-ylpentan-2-amine
CID 43650435
3-(4-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872854
1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
CID 107521390
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-ethylazepane
CID 65015031
(2S)-2-amino-3-(4-ethylpiperidin-1-yl)propan-1-ol;barium(2+);4-ethylpiperidine;hydride;1-piperidin-4-ylethanone
CID 158973015

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-ethylazepan-1-yl)butan-1-ol?
The IUPAC name of 3-amino-4-(4-ethylazepan-1-yl)butan-1-ol (CID 64898347) is 3-amino-4-(4-ethylazepan-1-yl)butan-1-ol.
What is the SMILES notation for 3-amino-4-(4-ethylazepan-1-yl)butan-1-ol?
The canonical SMILES for 3-amino-4-(4-ethylazepan-1-yl)butan-1-ol is CCC1CCCN(CC(N)CCO)CC1.
What is the InChIKey of 3-amino-4-(4-ethylazepan-1-yl)butan-1-ol?
The InChIKey is HAKLIRPNGVNQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-11-4-3-7-14(8-5-11)10-12(13)6-9-15/h11-12,15H,2-10,13H2,1H3.
What are the key properties of 3-amino-4-(4-ethylazepan-1-yl)butan-1-ol?
3-amino-4-(4-ethylazepan-1-yl)butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-ethylazepan-1-yl)butan-1-ol is sourced from PubChem (CID 64898347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).