(Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine

C15H29NO — CID 126489743

IUPAC(Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine
SMILESC/C=C\CCNC(CC)C(/C=C\C)OC(C)C
InChIInChI=1S/C15H29NO/c1-6-9-10-12-16-14(8-3)15(11-7-2)17-13(4)5/h6-7,9,11,13-16H,8,10,12H2,1-5H3/b9-6-,11-7-
InChIKeyASTJGJADGSADNK-TVBMFEEWSA-N
MW239.40 g/mol
LogP3.69
Rot. Bonds9

About (Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine

(Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine (PubChem CID 126489743) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine.

Molecular Properties

Compound Name(Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine
PubChem CID126489743
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine
SMILESC/C=C\CCNC(CC)C(/C=C\C)OC(C)C
InChIInChI=1S/C15H29NO/c1-6-9-10-12-16-14(8-3)15(11-7-2)17-13(4)5/h6-7,9,11,13-16H,8,10,12H2,1-5H3/b9-6-,11-7-
InChIKeyASTJGJADGSADNK-TVBMFEEWSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.69
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

N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine
CID 139410249
(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine
CID 145312229
[(1S,4R,5S)-4-methoxy-5-(propylamino)cyclopent-2-en-1-yl] acetate
CID 10536548
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
(E)-N-ethyl-7-propan-2-yloxyhept-5-en-1-amine
CID 58451778
2-cyclohex-2-en-1-yloxy-N-methylethanamine
CID 58684193
(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine
CID 58730214
(E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine
CID 58730223
2,3,4,4a,5,7a-Hexahydrocyclopenta[b][1,4]oxazine
CID 68281689
2-Hex-1-enylmorpholine
CID 68588543
2-Pent-1-enylmorpholine
CID 68590333
2-But-1-enylmorpholine
CID 68590433

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine?
The IUPAC name of (Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine (CID 126489743) is (Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine.
What is the SMILES notation for (Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine?
The canonical SMILES for (Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine is C/C=C\CCNC(CC)C(/C=C\C)OC(C)C.
What is the InChIKey of (Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine?
The InChIKey is ASTJGJADGSADNK-TVBMFEEWSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-9-10-12-16-14(8-3)15(11-7-2)17-13(4)5/h6-7,9,11,13-16H,8,10,12H2,1-5H3/b9-6-,11-7-.
What are the key properties of (Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine?
(Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine has a molecular weight of 239.40 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine is sourced from PubChem (CID 126489743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).