1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne

C10H15N — CID 167039283

IUPAC1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne
SMILESC=C(CC(C)C(C)C)N1C#C1
InChIInChI=1S/C10H15N/c1-8(2)9(3)7-10(4)11-5-6-11/h8-9H,4,7H2,1-3H3
InChIKeyYZTSCOTZZHEAMD-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.42
Rot. Bonds4

About 1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne

1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne (PubChem CID 167039283) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne.

Molecular Properties

Compound Name1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne
PubChem CID167039283
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne
SMILESC=C(CC(C)C(C)C)N1C#C1
InChIInChI=1S/C10H15N/c1-8(2)9(3)7-10(4)11-5-6-11/h8-9H,4,7H2,1-3H3
InChIKeyYZTSCOTZZHEAMD-UHFFFAOYSA-N
XLogP2.42
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethylhex-1-en-2-amine
CID 129255783
4,5-dimethyl-2-methylidenehexanoic acid
CID 88826259
4,5,6,7-tetramethyloct-1-en-2-amine
CID 155010763
methyl 3,4-dimethylpentanoate
CID 554058
2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene
CID 123699260
(6R)-2,6,7-trimethyl-3-methylideneoct-1-ene
CID 162769064
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
(3R,5R)-2,3,5,6-tetramethylheptane
CID 102426642
5-methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene
CID 129131607
2,3,5,7,8-pentamethylnon-1-ene
CID 177053825
2,6,7-trimethylocta-1,3-diene
CID 123885530
(2S,4R)-4,5-dimethylhexan-2-ol
CID 124507308

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne?
The IUPAC name of 1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne (CID 167039283) is 1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne.
What is the SMILES notation for 1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne?
The canonical SMILES for 1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne is C=C(CC(C)C(C)C)N1C#C1.
What is the InChIKey of 1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne?
The InChIKey is YZTSCOTZZHEAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)9(3)7-10(4)11-5-6-11/h8-9H,4,7H2,1-3H3.
What are the key properties of 1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne?
1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne has a molecular weight of 149.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylhex-1-en-2-yl)-1-azacycloprop-2-yne is sourced from PubChem (CID 167039283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).