butan-1-amine;prop-1-ene

C7H17N — CID 87407220

IUPACbutan-1-amine;prop-1-ene
SMILESC=CC.CCCCN
InChIInChI=1S/C4H11N.C3H6/c1-2-3-4-5;1-3-2/h2-5H2,1H3;3H,1H2,2H3
InChIKeyRZDPOEOKFJZDES-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.94
Rot. Bonds2

About butan-1-amine;prop-1-ene

butan-1-amine;prop-1-ene (PubChem CID 87407220) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is butan-1-amine;prop-1-ene.

Molecular Properties

Compound Namebutan-1-amine;prop-1-ene
PubChem CID87407220
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Namebutan-1-amine;prop-1-ene
SMILESC=CC.CCCCN
InChIInChI=1S/C4H11N.C3H6/c1-2-3-4-5;1-3-2/h2-5H2,1H3;3H,1H2,2H3
InChIKeyRZDPOEOKFJZDES-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 159237160
CID 159237160
butane;pentane;prop-1-ene
CID 144903825
hexane;propane;prop-1-ene
CID 143913803
tris(butan-1-amine);methylsilane
CID 161377074
ethanamine;prop-1-ene
CID 142862814
butan-1-amine;prop-2-enoate
CID 21324935
ethane;prop-1-ene;undecane
CID 171541850
azane;butan-1-amine;ethane;hydrate
CID 159979344
butan-1-amine;dodecan-1-amine
CID 158532895
butan-1-amine;dichlorogermane
CID 174998668
tetrakis(butan-1-amine);tetraiodoplumbane
CID 170458283
tridecan-1-amine;undecan-1-amine
CID 23045943

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;prop-1-ene?
The IUPAC name of butan-1-amine;prop-1-ene (CID 87407220) is butan-1-amine;prop-1-ene.
What is the SMILES notation for butan-1-amine;prop-1-ene?
The canonical SMILES for butan-1-amine;prop-1-ene is C=CC.CCCCN.
What is the InChIKey of butan-1-amine;prop-1-ene?
The InChIKey is RZDPOEOKFJZDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H6/c1-2-3-4-5;1-3-2/h2-5H2,1H3;3H,1H2,2H3.
What are the key properties of butan-1-amine;prop-1-ene?
butan-1-amine;prop-1-ene has a molecular weight of 115.22 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;prop-1-ene is sourced from PubChem (CID 87407220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).