4-(azocan-1-yl)-2-(propylamino)butan-1-ol

C14H30N2O — CID 64798605

IUPAC4-(azocan-1-yl)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN1CCCCCCC1
InChIInChI=1S/C14H30N2O/c1-2-9-15-14(13-17)8-12-16-10-6-4-3-5-7-11-16/h14-15,17H,2-13H2,1H3
InChIKeyHSZQVDUDINNNEX-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds7

About 4-(azocan-1-yl)-2-(propylamino)butan-1-ol

4-(azocan-1-yl)-2-(propylamino)butan-1-ol (PubChem CID 64798605) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-(azocan-1-yl)-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(azocan-1-yl)-2-(propylamino)butan-1-ol
PubChem CID64798605
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-(azocan-1-yl)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN1CCCCCCC1
InChIInChI=1S/C14H30N2O/c1-2-9-15-14(13-17)8-12-16-10-6-4-3-5-7-11-16/h14-15,17H,2-13H2,1H3
InChIKeyHSZQVDUDINNNEX-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol
CID 64788204
4-(azocan-1-yl)-2-(methylamino)butan-1-ol
CID 64797115
6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197
2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
CID 107911684
2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol
CID 64791406
N-(2-piperidin-1-ylethyl)hexan-3-amine
CID 115905417
4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol
CID 64897970
2-(ethylamino)-4-(4-methylpiperazin-1-yl)butan-1-ol
CID 64797363
3-methoxy-2-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 106190805
2-ethyl-4-piperidin-1-ylbutan-1-ol
CID 54295905
N-(2-pyrrolidin-1-ylethyl)undecan-6-amine
CID 43767999

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(azocan-1-yl)-2-(propylamino)butan-1-ol (CID 64798605) is 4-(azocan-1-yl)-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(azocan-1-yl)-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(azocan-1-yl)-2-(propylamino)butan-1-ol is CCCNC(CO)CCN1CCCCCCC1.
What is the InChIKey of 4-(azocan-1-yl)-2-(propylamino)butan-1-ol?
The InChIKey is HSZQVDUDINNNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-2-9-15-14(13-17)8-12-16-10-6-4-3-5-7-11-16/h14-15,17H,2-13H2,1H3.
What are the key properties of 4-(azocan-1-yl)-2-(propylamino)butan-1-ol?
4-(azocan-1-yl)-2-(propylamino)butan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64798605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).