4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen

C11H25NO — CID 166111982

IUPAC4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen
SMILESC=C(C)COCCCCNC(C)C.[H][H]
InChIInChI=1S/C11H23NO.H2/c1-10(2)9-13-8-6-5-7-12-11(3)4;/h11-12H,1,5-9H2,2-4H3;1H
InChIKeyHWYGYZYGDXJULT-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.60
Rot. Bonds8

About 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen

4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen (PubChem CID 166111982) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen
PubChem CID166111982
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen
SMILESC=C(C)COCCCCNC(C)C.[H][H]
InChIInChI=1S/C11H23NO.H2/c1-10(2)9-13-8-6-5-7-12-11(3)4;/h11-12H,1,5-9H2,2-4H3;1H
InChIKeyHWYGYZYGDXJULT-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.60
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-tert-butyl-4-prop-2-enoxybutan-1-amine
CID 62442084
3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine;molecular hydrogen
CID 145285917
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
4-methoxy-N-(2-methylprop-2-enyl)butan-1-amine
CID 62331891
N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 62342401
3-(3-methylbut-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342601
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
4-prop-2-enoxy-N-propylbutan-1-amine
CID 62442081
N-propan-2-yl-4-prop-2-enoxybutan-1-amine
CID 62442082
N-(4-prop-2-enoxybutyl)cyclopropanamine
CID 62442083
N-(2-methylpropyl)-4-prop-2-enoxybutan-1-amine
CID 62442262
N-methyl-4-prop-2-enoxybutan-1-amine
CID 62442443

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen?
The IUPAC name of 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen (CID 166111982) is 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen.
What is the SMILES notation for 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen?
The canonical SMILES for 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen is C=C(C)COCCCCNC(C)C.[H][H].
What is the InChIKey of 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen?
The InChIKey is HWYGYZYGDXJULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.H2/c1-10(2)9-13-8-6-5-7-12-11(3)4;/h11-12H,1,5-9H2,2-4H3;1H.
What are the key properties of 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen?
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen has a molecular weight of 187.33 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen is sourced from PubChem (CID 166111982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).