3-ethyl-1-(hept-6-enylamino)pentan-2-ol

C14H29NO — CID 106285256

IUPAC3-ethyl-1-(hept-6-enylamino)pentan-2-ol
SMILESC=CCCCCCNCC(O)C(CC)CC
InChIInChI=1S/C14H29NO/c1-4-7-8-9-10-11-15-12-14(16)13(5-2)6-3/h4,13-16H,1,5-12H2,2-3H3
InChIKeyQAEYTCYXKMEGAD-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.12
Rot. Bonds11

About 3-ethyl-1-(hept-6-enylamino)pentan-2-ol

3-ethyl-1-(hept-6-enylamino)pentan-2-ol (PubChem CID 106285256) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-ethyl-1-(hept-6-enylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(hept-6-enylamino)pentan-2-ol
PubChem CID106285256
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-ethyl-1-(hept-6-enylamino)pentan-2-ol
SMILESC=CCCCCCNCC(O)C(CC)CC
InChIInChI=1S/C14H29NO/c1-4-7-8-9-10-11-15-12-14(16)13(5-2)6-3/h4,13-16H,1,5-12H2,2-3H3
InChIKeyQAEYTCYXKMEGAD-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.12
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
(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
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
3-Methyl-2-undec-10-enylamino-butan-1-ol
CID 129692135
(3S,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835287
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
(2R)-1-(3-methylhex-5-en-3-ylamino)propan-2-ol
CID 20677481
rac-(3R,4S)-4-(prop-2-en-1-yl)pyrrolidin-3-ol
CID 55287060
3-Prop-2-enylpiperidin-4-ol
CID 55300262
1-Amino-3-prop-2-enylhex-5-en-2-ol
CID 57285632
4-(Prop-2-EN-1-YL)pyrrolidin-3-OL
CID 58691764

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(hept-6-enylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(hept-6-enylamino)pentan-2-ol (CID 106285256) is 3-ethyl-1-(hept-6-enylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(hept-6-enylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(hept-6-enylamino)pentan-2-ol is C=CCCCCCNCC(O)C(CC)CC.
What is the InChIKey of 3-ethyl-1-(hept-6-enylamino)pentan-2-ol?
The InChIKey is QAEYTCYXKMEGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-8-9-10-11-15-12-14(16)13(5-2)6-3/h4,13-16H,1,5-12H2,2-3H3.
What are the key properties of 3-ethyl-1-(hept-6-enylamino)pentan-2-ol?
3-ethyl-1-(hept-6-enylamino)pentan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.12, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(hept-6-enylamino)pentan-2-ol is sourced from PubChem (CID 106285256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).