3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol

C14H30N2O — CID 64811056

IUPAC3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CN1CCCC(CC)CC1
InChIInChI=1S/C14H30N2O/c1-3-8-15-14(12-17)11-16-9-5-6-13(4-2)7-10-16/h13-15,17H,3-12H2,1-2H3
InChIKeyGTWYECAWZMFLBC-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds7

About 3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol

3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol (PubChem CID 64811056) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol
PubChem CID64811056
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CN1CCCC(CC)CC1
InChIInChI=1S/C14H30N2O/c1-3-8-15-14(12-17)11-16-9-5-6-13(4-2)7-10-16/h13-15,17H,3-12H2,1-2H3
InChIKeyGTWYECAWZMFLBC-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64789180
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol
CID 64791676
3-amino-4-(4-ethylazepan-1-yl)butan-1-ol
CID 64898347
3-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)propan-1-ol
CID 64791856
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol
CID 64791300
4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 103494996
3-(4-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872854
3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol
CID 64796406
4-(azocan-1-yl)-2-(propylamino)butan-1-ol
CID 64798605
N,N-dimethyl-1-[2-(propylamino)pentyl]piperidin-4-amine
CID 62043146

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol (CID 64811056) is 3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol is CCCNC(CO)CN1CCCC(CC)CC1.
What is the InChIKey of 3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol?
The InChIKey is GTWYECAWZMFLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-8-15-14(12-17)11-16-9-5-6-13(4-2)7-10-16/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol?
3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64811056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).