3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine

C15H25N — CID 123890887

IUPAC3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine
SMILESC#CC(C)CC1C(C)C1/N=C(\C)C(C)CC
InChIInChI=1S/C15H25N/c1-7-10(3)9-14-12(5)15(14)16-13(6)11(4)8-2/h1,10-12,14-15H,8-9H2,2-6H3/b16-13+
InChIKeyBVCVHYMUOUQHNH-DTQAZKPQSA-N
MW219.37 g/mol
LogP3.79
Rot. Bonds5

About 3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine

3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine (PubChem CID 123890887) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine
PubChem CID123890887
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine
SMILESC#CC(C)CC1C(C)C1/N=C(\C)C(C)CC
InChIInChI=1S/C15H25N/c1-7-10(3)9-14-12(5)15(14)16-13(6)11(4)8-2/h1,10-12,14-15H,8-9H2,2-6H3/b16-13+
InChIKeyBVCVHYMUOUQHNH-DTQAZKPQSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne
CID 159199153
(E)-3-methyl-N-[(E)-pent-4-yn-2-ylideneamino]pentan-2-imine
CID 156744928
ethane;(Z)-2-(3-methylpentan-2-ylideneamino)but-2-enenitrile
CID 176977925
2-methylbut-3-ynylcyclobutane
CID 167719771
CID 91200950
CID 91200950
2,3-dimethylpent-1-ene;ethane
CID 143286891
1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine
CID 166820090
S-methyl N-(3-methylpentan-2-ylidene)carbamothioate
CID 123144313
3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine
CID 178092345
(Z)-N-ethyl-2,5-dimethylhept-2-en-6-yn-1-amine
CID 138461694
3,7-dimethylnon-1-yne
CID 123724233
3,6-dimethyloct-4-ene
CID 73165576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine?
The IUPAC name of 3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine (CID 123890887) is 3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine.
What is the SMILES notation for 3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine?
The canonical SMILES for 3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine is C#CC(C)CC1C(C)C1/N=C(\C)C(C)CC.
What is the InChIKey of 3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine?
The InChIKey is BVCVHYMUOUQHNH-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H25N/c1-7-10(3)9-14-12(5)15(14)16-13(6)11(4)8-2/h1,10-12,14-15H,8-9H2,2-6H3/b16-13+.
What are the key properties of 3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine?
3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine has a molecular weight of 219.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine is sourced from PubChem (CID 123890887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).