but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine

C8H19N — CID 153399985

IUPACbut-1-ene;molecular hydrogen;N-propan-2-ylmethanimine
SMILESC=CCC.C=NC(C)C.[H][H]
InChIInChI=1S/C4H9N.C4H8.H2/c1-4(2)5-3;1-3-4-2;/h4H,3H2,1-2H3;3H,1,4H2,2H3;1H
InChIKeyFJJFJUKZVLSOHL-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.92
Rot. Bonds2

About but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine

but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine (PubChem CID 153399985) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine.

Molecular Properties

Compound Namebut-1-ene;molecular hydrogen;N-propan-2-ylmethanimine
PubChem CID153399985
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Namebut-1-ene;molecular hydrogen;N-propan-2-ylmethanimine
SMILESC=CCC.C=NC(C)C.[H][H]
InChIInChI=1S/C4H9N.C4H8.H2/c1-4(2)5-3;1-3-4-2;/h4H,3H2,1-2H3;3H,1,4H2,2H3;1H
InChIKeyFJJFJUKZVLSOHL-UHFFFAOYSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-en-2-ylmethanimine
CID 21348937
N-hept-6-en-3-ylmethanimine
CID 91148336
N-pent-4-en-2-ylmethanimine
CID 123777591
N-hex-5-en-3-ylmethanimine
CID 124182000
N-hept-1-en-4-ylmethanimine
CID 124182016
N-oct-7-en-4-ylmethanimine
CID 130450405
but-1-ene;ethane;N-ethylmethanimine
CID 141843400
ethane;N-(4-methylidenehexa-1,5-dien-3-yl)methanimine
CID 144267813
N-[(Z,2S)-hept-4-en-2-yl]methanimine
CID 144536562
(E)-but-2-ene;N-but-3-enylmethanimine
CID 144930744
ethane;N-propan-2-ylmethanimine;bis(prop-1-ene)
CID 145193132
N-[(E)-4-diethylboranylbut-3-enyl]methanimine
CID 163636720

Frequently Asked Questions

What is the IUPAC name of but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine?
The IUPAC name of but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine (CID 153399985) is but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine.
What is the SMILES notation for but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine?
The canonical SMILES for but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine is C=CCC.C=NC(C)C.[H][H].
What is the InChIKey of but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine?
The InChIKey is FJJFJUKZVLSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C4H8.H2/c1-4(2)5-3;1-3-4-2;/h4H,3H2,1-2H3;3H,1,4H2,2H3;1H.
What are the key properties of but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine?
but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine has a molecular weight of 129.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;molecular hydrogen;N-propan-2-ylmethanimine is sourced from PubChem (CID 153399985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).