(E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine

C12H25NO — CID 58451778

IUPAC(E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine
SMILESCCNCCCC/C=C/COC(C)C
InChIInChI=1S/C12H25NO/c1-4-13-10-8-6-5-7-9-11-14-12(2)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3/b9-7+
InChIKeySOFZRJLRLKLRPG-VQHVLOKHSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds9

About (E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine

(E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine (PubChem CID 58451778) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine
PubChem CID58451778
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine
SMILESCCNCCCC/C=C/COC(C)C
InChIInChI=1S/C12H25NO/c1-4-13-10-8-6-5-7-9-11-14-12(2)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3/b9-7+
InChIKeySOFZRJLRLKLRPG-VQHVLOKHSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
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

(E)-N-methyl-7-(trifluoromethoxy)hept-5-en-1-amine
CID 172335495
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
2-Hex-1-enylmorpholine
CID 68588543
(Z)-4-methoxyhept-5-en-1-amine
CID 89153850
(Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine
CID 126489743
N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine
CID 134242988
4-Cyclohexa-2,4-dien-1-yloxypiperidine
CID 139334582
(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene
CID 144515516
(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
(Z,4R)-N-ethyl-4-methoxyhex-2-en-1-amine
CID 145602396
3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
CID 146300663

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine?
The IUPAC name of (E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine (CID 58451778) is (E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine?
The canonical SMILES for (E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine is CCNCCCC/C=C/COC(C)C.
What is the InChIKey of (E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine?
The InChIKey is SOFZRJLRLKLRPG-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-13-10-8-6-5-7-9-11-14-12(2)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3/b9-7+.
What are the key properties of (E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine?
(E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine is sourced from PubChem (CID 58451778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).