1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol

C19H37NO — CID 168928018

IUPAC1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol
SMILESCCCCCCC/C=C/CCNCCC(O)C1CC1CC
InChIInChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-14-20-15-13-19(21)18-16-17(18)4-2/h10-11,17-21H,3-9,12-16H2,1-2H3/b11-10+
InChIKeyDNIOSLAIVCNUOB-ZHACJKMWSA-N
MW295.51 g/mol
LogP4.68
Rot. Bonds14

About 1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol

1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol (PubChem CID 168928018) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol
PubChem CID168928018
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol
SMILESCCCCCCC/C=C/CCNCCC(O)C1CC1CC
InChIInChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-14-20-15-13-19(21)18-16-17(18)4-2/h10-11,17-21H,3-9,12-16H2,1-2H3/b11-10+
InChIKeyDNIOSLAIVCNUOB-ZHACJKMWSA-N
XLogP4.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.68
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

2-[[2-(Hydroxymethyl)octadec-9-enylamino]methyl]octadec-9-en-1-ol
CID 54274440
1-[[(2R)-1-cyclohex-3-en-1-ylpropan-2-yl]amino]hexadecan-1-ol
CID 70886588
(Z)-3-[[[(Z)-2-(2-hydroxyethyl)octadec-9-enyl]amino]methyl]nonadec-10-en-1-ol
CID 87113579
(Z)-3-(aminomethyl)nonadec-10-en-2-ol
CID 88627059
(Z)-2-[[[(Z)-2-(hydroxymethyl)octadec-9-enyl]amino]methyl]octadec-9-en-1-ol
CID 88697551
1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol
CID 89073834
5-(1-cyclopropylethyl)-3-methyl-3-(2,3,4,7-tetrahydro-1H-azepin-4-yl)octan-4-ol
CID 91257846
3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol
CID 123619512
3-[(Z)-17-(methylamino)heptadec-8-enyl]pentane-1,5-diol
CID 131714242
(Z)-1-(3-aminopropylamino)octadec-9-en-3-ol
CID 139760257
(9Z,12Z)-1-(3-aminopropylamino)octadeca-9,12-dien-3-ol
CID 139771507
1-[(1R)-cyclohex-2-en-1-yl]-3-(methylamino)propan-1-ol
CID 141795329

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol?
The IUPAC name of 1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol (CID 168928018) is 1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol.
What is the SMILES notation for 1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol?
The canonical SMILES for 1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol is CCCCCCC/C=C/CCNCCC(O)C1CC1CC.
What is the InChIKey of 1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol?
The InChIKey is DNIOSLAIVCNUOB-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-14-20-15-13-19(21)18-16-17(18)4-2/h10-11,17-21H,3-9,12-16H2,1-2H3/b11-10+.
What are the key properties of 1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol?
1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol has a molecular weight of 295.51 g/mol, XLogP of 4.68, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclopropyl)-3-[[(E)-undec-3-enyl]amino]propan-1-ol is sourced from PubChem (CID 168928018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).