3-ethyl-1-(pent-4-enylamino)pentan-2-ol

C12H25NO — CID 106285817

IUPAC3-ethyl-1-(pent-4-enylamino)pentan-2-ol
SMILESC=CCCCNCC(O)C(CC)CC
InChIInChI=1S/C12H25NO/c1-4-7-8-9-13-10-12(14)11(5-2)6-3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyAPOKZFSUKYMTDY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.34
Rot. Bonds9

About 3-ethyl-1-(pent-4-enylamino)pentan-2-ol

3-ethyl-1-(pent-4-enylamino)pentan-2-ol (PubChem CID 106285817) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-ethyl-1-(pent-4-enylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(pent-4-enylamino)pentan-2-ol
PubChem CID106285817
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-ethyl-1-(pent-4-enylamino)pentan-2-ol
SMILESC=CCCCNCC(O)C(CC)CC
InChIInChI=1S/C12H25NO/c1-4-7-8-9-13-10-12(14)11(5-2)6-3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyAPOKZFSUKYMTDY-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Methylamino)hex-5-en-2-ol
CID 12379091
1-[(2-Methylcyclohexyl)amino]hex-5-EN-2-OL
CID 86797547
3-Fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol
CID 146962712
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
1,1,1-Trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol
CID 115712103
3-Ethylamino-5-hexene-2-ol
CID 566897
(2R)-1-(3-methylhex-5-en-3-ylamino)propan-2-ol
CID 20677481
3-(Methylaminomethyl)hex-5-en-1-ol
CID 23122164
rac-(3R,4S)-4-(prop-2-en-1-yl)pyrrolidin-3-ol
CID 55287060
1-Amino-3-prop-2-enylhex-5-en-2-ol
CID 57285632
4-(Prop-2-EN-1-YL)pyrrolidin-3-OL
CID 58691764
rel-(3R,4S)-4-Allylpyrrolidin-3-ol
CID 69675805

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(pent-4-enylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(pent-4-enylamino)pentan-2-ol (CID 106285817) is 3-ethyl-1-(pent-4-enylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(pent-4-enylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(pent-4-enylamino)pentan-2-ol is C=CCCCNCC(O)C(CC)CC.
What is the InChIKey of 3-ethyl-1-(pent-4-enylamino)pentan-2-ol?
The InChIKey is APOKZFSUKYMTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-8-9-13-10-12(14)11(5-2)6-3/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of 3-ethyl-1-(pent-4-enylamino)pentan-2-ol?
3-ethyl-1-(pent-4-enylamino)pentan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(pent-4-enylamino)pentan-2-ol is sourced from PubChem (CID 106285817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).