N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine

C8H11N — CID 163712422

IUPACN-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine
SMILESC=C=C=CNC1CC1C
InChIInChI=1S/C8H11N/c1-3-4-5-9-8-6-7(8)2/h5,7-9H,1,6H2,2H3
InChIKeyKKKPPYXHWCNTMJ-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.44
Rot. Bonds2

About N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine

N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine (PubChem CID 163712422) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine
PubChem CID163712422
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine
SMILESC=C=C=CNC1CC1C
InChIInChI=1S/C8H11N/c1-3-4-5-9-8-6-7(8)2/h5,7-9H,1,6H2,2H3
InChIKeyKKKPPYXHWCNTMJ-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N,2-dimethylcyclopropan-1-amine
CID 54266879
N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine
CID 155306452
1-methyl-2-propa-1,2-dienylcyclopropane
CID 123896728
dimethyl 2-[(E)-3-[[(1R,2S)-2-methylcyclopropyl]amino]prop-2-enylidene]propanedioate
CID 164554721
N-[(1S)-2-methylcyclopropyl]ethenimine
CID 149214769
N-(2-methylcyclopropyl)-2-oxoacetamide
CID 54286028
N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine
CID 107898933
undeca-1,2,3-trien-5,7,9-triyne
CID 59363816
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide
CID 129431064
1-buta-2,3-dienyl-3-ethyl-4-methylpyrrolidine
CID 138507775
(2R)-1-methyl-2-(sulfinoamino)cyclopropane
CID 89197525
2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine
CID 130839568

Frequently Asked Questions

What is the IUPAC name of N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine?
The IUPAC name of N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine (CID 163712422) is N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine?
The canonical SMILES for N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine is C=C=C=CNC1CC1C.
What is the InChIKey of N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine?
The InChIKey is KKKPPYXHWCNTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-4-5-9-8-6-7(8)2/h5,7-9H,1,6H2,2H3.
What are the key properties of N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine?
N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine has a molecular weight of 121.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,2,3-trienyl-2-methylcyclopropan-1-amine is sourced from PubChem (CID 163712422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).