4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine

C11H21NO — CID 177319646

IUPAC4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine
SMILESC/C=C(/C)OC(CCCN)=C(C)C
InChIInChI=1S/C11H21NO/c1-5-10(4)13-11(9(2)3)7-6-8-12/h5H,6-8,12H2,1-4H3/b10-5-
InChIKeyMPCWDDCIHZLSHY-YHYXMXQVSA-N
MW183.29 g/mol
LogP2.96
Rot. Bonds5

About 4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine

4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine (PubChem CID 177319646) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine
PubChem CID177319646
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine
SMILESC/C=C(/C)OC(CCCN)=C(C)C
InChIInChI=1S/C11H21NO/c1-5-10(4)13-11(9(2)3)7-6-8-12/h5H,6-8,12H2,1-4H3/b10-5-
InChIKeyMPCWDDCIHZLSHY-YHYXMXQVSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.96
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

(E)-2-ethenyl-4-methoxyhex-4-en-1-amine
CID 89520823
(Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine
CID 135258420
(2,6-dimethyl-4H-pyran-3-yl)methanamine
CID 140731358
(3Z,5E)-6-ethoxy-3-[(E)-2-methoxyprop-1-enyl]hepta-3,5-dien-1-amine
CID 144020851
5-(6-Aminohex-2-en-2-yloxy)hex-4-en-1-amine
CID 153522560
4-But-3-enoxy-5-ethenylhepta-4,6-dien-1-amine
CID 163495377
3-[(E)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine
CID 170047790
4-[(Z)-but-2-en-2-yl]oxypent-4-en-1-amine
CID 177319645
N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine
CID 177319659
acetylene;(Z)-4-ethoxyhex-4-en-1-amine;propane
CID 177319662
3-[(2Z,7E)-3,8-dimethyl-5,6-dihydro-4H-oxocin-2-yl]-N-methylpropan-1-amine
CID 177319745
3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine
CID 177319748

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine (CID 177319646) is 4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine is C/C=C(/C)OC(CCCN)=C(C)C.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine?
The InChIKey is MPCWDDCIHZLSHY-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-10(4)13-11(9(2)3)7-6-8-12/h5H,6-8,12H2,1-4H3/b10-5-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine?
4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.96, 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]oxy-5-methylhex-4-en-1-amine is sourced from PubChem (CID 177319646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).