4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine

C25H49NO2 — CID 159921747

IUPAC4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine
SMILESCC(C)C#CCNC(C)C.CC(C)C#CCOC(C)C.CC(C)COC(C)C
InChIInChI=1S/C9H17N.C9H16O.C7H16O/c2*1-8(2)6-5-7-10-9(3)4;1-6(2)5-8-7(3)4/h8-10H,7H2,1-4H3;8-9H,7H2,1-4H3;6-7H,5H2,1-4H3
InChIKeyNYMJHQXNYXSUCW-UHFFFAOYSA-N
MW395.67 g/mol
LogP5.78
Rot. Bonds7

About 4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine

4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine (PubChem CID 159921747) has the molecular formula C25H49NO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine.

Molecular Properties

Compound Name4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine
PubChem CID159921747
Molecular FormulaC25H49NO2
Molecular Weight395.67 g/mol
Exact Mass395.38
IUPAC Name4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine
SMILESCC(C)C#CCNC(C)C.CC(C)C#CCOC(C)C.CC(C)COC(C)C
InChIInChI=1S/C9H17N.C9H16O.C7H16O/c2*1-8(2)6-5-7-10-9(3)4;1-6(2)5-8-7(3)4/h8-10H,7H2,1-4H3;8-9H,7H2,1-4H3;6-7H,5H2,1-4H3
InChIKeyNYMJHQXNYXSUCW-UHFFFAOYSA-N
XLogP5.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-di(propan-2-yloxy)but-2-yne
CID 59470661
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 166554710
9-methyl-N-propan-2-yldec-7-yn-1-amine
CID 170673540
N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine
CID 177134759
4-propan-2-yloxybut-2-yn-1-amine
CID 115011148
2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide
CID 160746287
2-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 62443383
(2S)-3-methyl-N-propan-2-yl-1-propan-2-yloxybutan-2-amine
CID 101182979
(1S)-6-methyl-1-(methyldisulfanyl)-1-(4-methylpent-2-ynoxy)heptane
CID 159683090
5-propan-2-yloxypent-3-ynal
CID 115011370

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine?
The IUPAC name of 4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine (CID 159921747) is 4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine.
What is the SMILES notation for 4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine?
The canonical SMILES for 4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine is CC(C)C#CCNC(C)C.CC(C)C#CCOC(C)C.CC(C)COC(C)C.
What is the InChIKey of 4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine?
The InChIKey is NYMJHQXNYXSUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C9H16O.C7H16O/c2*1-8(2)6-5-7-10-9(3)4;1-6(2)5-8-7(3)4/h8-10H,7H2,1-4H3;8-9H,7H2,1-4H3;6-7H,5H2,1-4H3.
What are the key properties of 4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine?
4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine has a molecular weight of 395.67 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine is sourced from PubChem (CID 159921747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).