4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine

C9H17NO — CID 177319645

IUPAC4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine
SMILESC=C(CCCN)O/C(C)=C\C
InChIInChI=1S/C9H17NO/c1-4-8(2)11-9(3)6-5-7-10/h4H,3,5-7,10H2,1-2H3/b8-4-
InChIKeyKAMYVAIJEYDKEE-YWEYNIOJSA-N
MW155.24 g/mol
LogP2.18
Rot. Bonds5

About 4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine

4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine (PubChem CID 177319645) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine
PubChem CID177319645
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine
SMILESC=C(CCCN)O/C(C)=C\C
InChIInChI=1S/C9H17NO/c1-4-8(2)11-9(3)6-5-7-10/h4H,3,5-7,10H2,1-2H3/b8-4-
InChIKeyKAMYVAIJEYDKEE-YWEYNIOJSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-Aminopent-1-en-2-yloxy)pent-4-en-1-amine
CID 21972075
Ethane;4-ethoxypent-4-en-1-amine
CID 142619296
5-(6-Aminohex-2-en-2-yloxy)hex-4-en-1-amine
CID 153522560
4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine
CID 177319646
acetylene;(Z)-4-ethoxyhex-4-en-1-amine;propane
CID 177319662
3-[(2Z,7E)-3,8-dimethyl-5,6-dihydro-4H-oxocin-2-yl]propan-1-amine
CID 177319772
4,5-Diethoxypent-4-en-1-amine
CID 157601857
(Z)-4-ethoxyhex-4-en-1-amine
CID 177319663

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine (CID 177319645) is 4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine is C=C(CCCN)O/C(C)=C\C.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine?
The InChIKey is KAMYVAIJEYDKEE-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-8(2)11-9(3)6-5-7-10/h4H,3,5-7,10H2,1-2H3/b8-4-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine?
4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine is sourced from PubChem (CID 177319645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).