N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine

C8H15N — CID 107898933

IUPACN-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine
SMILESC/C=C/CNC1CC1C
InChIInChI=1S/C8H15N/c1-3-4-5-9-8-6-7(8)2/h3-4,7-9H,5-6H2,1-2H3/b4-3+
InChIKeyAQXDGDXXVXXMPU-ONEGZZNKSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds3

About N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine

N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine (PubChem CID 107898933) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine
PubChem CID107898933
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine
SMILESC/C=C/CNC1CC1C
InChIInChI=1S/C8H15N/c1-3-4-5-9-8-6-7(8)2/h3-4,7-9H,5-6H2,1-2H3/b4-3+
InChIKeyAQXDGDXXVXXMPU-ONEGZZNKSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.56
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

2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine
CID 76942803
[2-[[(E)-but-2-enyl]amino]cyclopentyl]methanol
CID 106360609
N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 107897801
1-[(Z)-but-2-enyl]-2-methylcyclopropane
CID 143324867
(2S)-1-but-2-enyl-2-methylcyclopropane
CID 59524462
N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine
CID 107899997
N-[(E)-but-2-enyl]oxolan-3-amine
CID 107899108
3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine
CID 131248317
3-[(2-methylcyclopropyl)amino]propanoic acid
CID 62398720
ethane;(E)-N-methylbut-2-en-1-amine
CID 157191790
1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine
CID 111587997
6-[(2-methylcyclopropyl)amino]hexylmercury;propane
CID 143214043

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine (CID 107898933) is N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine is C/C=C/CNC1CC1C.
What is the InChIKey of N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine?
The InChIKey is AQXDGDXXVXXMPU-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H15N/c1-3-4-5-9-8-6-7(8)2/h3-4,7-9H,5-6H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine?
N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 107898933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).