1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid

C14H23NO2 — CID 151276822

IUPAC1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid
SMILESCC(C)=CCC/C(C)=C/CNC1(C(=O)O)CC1
InChIInChI=1S/C14H23NO2/c1-11(2)5-4-6-12(3)7-10-15-14(8-9-14)13(16)17/h5,7,15H,4,6,8-10H2,1-3H3,(H,16,17)/b12-7+
InChIKeyNXNJSBCTGPEKDT-KPKJPENVSA-N
MW237.34 g/mol
LogP2.89
Rot. Bonds7

About 1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid

1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 151276822) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid
PubChem CID151276822
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid
SMILESCC(C)=CCC/C(C)=C/CNC1(C(=O)O)CC1
InChIInChI=1S/C14H23NO2/c1-11(2)5-4-6-12(3)7-10-15-14(8-9-14)13(16)17/h5,7,15H,4,6,8-10H2,1-3H3,(H,16,17)/b12-7+
InChIKeyNXNJSBCTGPEKDT-KPKJPENVSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
CID 71441350
1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid
CID 45082142
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 10656136
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone
CID 68613852
1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropyl]ethanone
CID 59350120
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide
CID 11521413

Frequently Asked Questions

What is the IUPAC name of 1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid (CID 151276822) is 1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid is CC(C)=CCC/C(C)=C/CNC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is NXNJSBCTGPEKDT-KPKJPENVSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)5-4-6-12(3)7-10-15-14(8-9-14)13(16)17/h5,7,15H,4,6,8-10H2,1-3H3,(H,16,17)/b12-7+.
What are the key properties of 1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid?
1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 151276822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).