N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine

C11H19N — CID 170195757

IUPACN-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine
SMILESC=C/C=N/C=C(C(C)C)C(C)C
InChIInChI=1S/C11H19N/c1-6-7-12-8-11(9(2)3)10(4)5/h6-10H,1H2,2-5H3/b12-7+
InChIKeyBSTZZYAVDPWMEN-KPKJPENVSA-N
MW165.28 g/mol
LogP3.44
Rot. Bonds4

About N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine

N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine (PubChem CID 170195757) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine
PubChem CID170195757
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine
SMILESC=C/C=N/C=C(C(C)C)C(C)C
InChIInChI=1S/C11H19N/c1-6-7-12-8-11(9(2)3)10(4)5/h6-10H,1H2,2-5H3/b12-7+
InChIKeyBSTZZYAVDPWMEN-KPKJPENVSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine?
The IUPAC name of N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine (CID 170195757) is N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine is C=C/C=N/C=C(C(C)C)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine?
The InChIKey is BSTZZYAVDPWMEN-KPKJPENVSA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-12-8-11(9(2)3)10(4)5/h6-10H,1H2,2-5H3/b12-7+.
What are the key properties of N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine?
N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbut-1-enyl)prop-2-en-1-imine is sourced from PubChem (CID 170195757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).