3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen

C11H23NO — CID 142038615

IUPAC3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
SMILESC=CCNCCCOC(C)C(=C)C.[H][H]
InChIInChI=1S/C11H21NO.H2/c1-5-7-12-8-6-9-13-11(4)10(2)3;/h5,11-12H,1-2,6-9H2,3-4H3;1H
InChIKeyVVFQHXXFJMPSPK-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.38
Rot. Bonds8

About 3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen

3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen (PubChem CID 142038615) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
PubChem CID142038615
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
SMILESC=CCNCCCOC(C)C(=C)C.[H][H]
InChIInChI=1S/C11H21NO.H2/c1-5-7-12-8-6-9-13-11(4)10(2)3;/h5,11-12H,1-2,6-9H2,3-4H3;1H
InChIKeyVVFQHXXFJMPSPK-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.38
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

[3-(But-3-en-2-yloxy)-2,2-difluoropropyl](propyl)amine
CID 165462019
[3-(But-3-en-2-yloxy)-2,2-difluoropropyl](ethyl)amine
CID 165464276
3-prop-2-enoxy-N-propylpropan-1-amine
CID 62442457
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
(2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine
CID 142412370
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
2-[(But-3-enylamino)methyl]prop-2-enyl acetate
CID 16121168
N-(2-but-3-en-2-yloxyethyl)propan-1-amine
CID 62382134
3-but-3-en-2-yloxy-N-propan-2-ylpropan-1-amine
CID 62382321
N-ethyl-3-prop-2-enoxypropan-1-amine
CID 62442471
2-methyl-N-(3-prop-2-enoxypropyl)propan-1-amine
CID 62442637
4-methyl-5-propan-2-yloxy-N-propylpent-3-en-1-amine
CID 79597963

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen?
The IUPAC name of 3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen (CID 142038615) is 3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen.
What is the SMILES notation for 3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen?
The canonical SMILES for 3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen is C=CCNCCCOC(C)C(=C)C.[H][H].
What is the InChIKey of 3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen?
The InChIKey is VVFQHXXFJMPSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.H2/c1-5-7-12-8-6-9-13-11(4)10(2)3;/h5,11-12H,1-2,6-9H2,3-4H3;1H.
What are the key properties of 3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen?
3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen has a molecular weight of 185.31 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen is sourced from PubChem (CID 142038615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).