3-[ethyl(pentyl)amino]pentan-1-ol

C12H27NO — CID 168878790

IUPAC3-[ethyl(pentyl)amino]pentan-1-ol
SMILESCCCCCN(CC)C(CC)CCO
InChIInChI=1S/C12H27NO/c1-4-7-8-10-13(6-3)12(5-2)9-11-14/h12,14H,4-11H2,1-3H3
InChIKeyATQZGHWCIOOYSN-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.66
Rot. Bonds9

About 3-[ethyl(pentyl)amino]pentan-1-ol

3-[ethyl(pentyl)amino]pentan-1-ol (PubChem CID 168878790) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-[ethyl(pentyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[ethyl(pentyl)amino]pentan-1-ol
PubChem CID168878790
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-[ethyl(pentyl)amino]pentan-1-ol
SMILESCCCCCN(CC)C(CC)CCO
InChIInChI=1S/C12H27NO/c1-4-7-8-10-13(6-3)12(5-2)9-11-14/h12,14H,4-11H2,1-3H3
InChIKeyATQZGHWCIOOYSN-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl(heptan-3-yl)amino]propan-1-ol
CID 88539912
4-[ethyl(nonan-5-yl)amino]butan-1-ol
CID 88539737
3-[ethyl(nonan-5-yl)amino]propan-1-ol
CID 88539707
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
3-amino-2-[butyl(ethyl)amino]propan-1-ol
CID 104710797
3-[ethyl(octadecan-3-yl)amino]propanal
CID 173125215
(6R)-6-methyl-N-pentyl-N-propyloctan-3-amine
CID 172617141
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
sodium 4-(dioctylamino)hexanoate
CID 101313492
calcium bis(4-[di(tetradecyl)amino]hexanoate)
CID 101314517
lithium 4-[di(tridecyl)amino]hexanoate
CID 101314489
potassium 4-[di(tetracosyl)amino]hexanoate
CID 101314765

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pentyl)amino]pentan-1-ol?
The IUPAC name of 3-[ethyl(pentyl)amino]pentan-1-ol (CID 168878790) is 3-[ethyl(pentyl)amino]pentan-1-ol.
What is the SMILES notation for 3-[ethyl(pentyl)amino]pentan-1-ol?
The canonical SMILES for 3-[ethyl(pentyl)amino]pentan-1-ol is CCCCCN(CC)C(CC)CCO.
What is the InChIKey of 3-[ethyl(pentyl)amino]pentan-1-ol?
The InChIKey is ATQZGHWCIOOYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-8-10-13(6-3)12(5-2)9-11-14/h12,14H,4-11H2,1-3H3.
What are the key properties of 3-[ethyl(pentyl)amino]pentan-1-ol?
3-[ethyl(pentyl)amino]pentan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pentyl)amino]pentan-1-ol is sourced from PubChem (CID 168878790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).