(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine

C10H19NO — CID 89209291

IUPAC(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
SMILESC/C=C(\C=C/CCN)OCCC
InChIInChI=1S/C10H19NO/c1-3-9-12-10(4-2)7-5-6-8-11/h4-5,7H,3,6,8-9,11H2,1-2H3/b7-5-,10-4+
InChIKeyPMTYQEZJQSMNDR-ACUVPTBSSA-N
MW169.27 g/mol
LogP2.22
Rot. Bonds6

About (3Z,5E)-5-propoxyhepta-3,5-dien-1-amine

(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine (PubChem CID 89209291) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3Z,5E)-5-propoxyhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
PubChem CID89209291
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
SMILESC/C=C(\C=C/CCN)OCCC
InChIInChI=1S/C10H19NO/c1-3-9-12-10(4-2)7-5-6-8-11/h4-5,7H,3,6,8-9,11H2,1-2H3/b7-5-,10-4+
InChIKeyPMTYQEZJQSMNDR-ACUVPTBSSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

butyl (E)-5-aminopent-2-enoate
CID 90071570
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CID 57418044
CID 57418044
(1E,3E,5E,7E,9E)-2-propoxyicosa-1,3,5,7,9-pentaen-1-ol
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dipropyl 2-pent-1-enylbut-2-enedioate
CID 151419690
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine
CID 166810919
hept-2-ene;propyl hydrogen carbonate
CID 158833730
2-propoxyprop-2-en-1-amine
CID 129234391
(2E,4Z)-3-(3-methylbut-3-enoxy)hexa-2,4-diene
CID 166724830
2-[(2E,4E,6E)-5-ethenylocta-2,4,6-trien-3-yl]oxyethanamine
CID 142390040
N-chlorohex-2-enamide
CID 140536866

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-propoxyhepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5E)-5-propoxyhepta-3,5-dien-1-amine (CID 89209291) is (3Z,5E)-5-propoxyhepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5E)-5-propoxyhepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5E)-5-propoxyhepta-3,5-dien-1-amine is C/C=C(\C=C/CCN)OCCC.
What is the InChIKey of (3Z,5E)-5-propoxyhepta-3,5-dien-1-amine?
The InChIKey is PMTYQEZJQSMNDR-ACUVPTBSSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9-12-10(4-2)7-5-6-8-11/h4-5,7H,3,6,8-9,11H2,1-2H3/b7-5-,10-4+.
What are the key properties of (3Z,5E)-5-propoxyhepta-3,5-dien-1-amine?
(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-propoxyhepta-3,5-dien-1-amine is sourced from PubChem (CID 89209291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).