1-methyl-3-(4-methylpent-2-ynyl)azetidine

C10H17N — CID 176599152

IUPAC1-methyl-3-(4-methylpent-2-ynyl)azetidine
SMILESCC(C)C#CCC1CN(C)C1
InChIInChI=1S/C10H17N/c1-9(2)5-4-6-10-7-11(3)8-10/h9-10H,6-8H2,1-3H3
InChIKeyULQKUKJNGKBNTD-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.60
Rot. Bonds1

About 1-methyl-3-(4-methylpent-2-ynyl)azetidine

1-methyl-3-(4-methylpent-2-ynyl)azetidine (PubChem CID 176599152) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpent-2-ynyl)azetidine.

Molecular Properties

Compound Name1-methyl-3-(4-methylpent-2-ynyl)azetidine
PubChem CID176599152
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-methyl-3-(4-methylpent-2-ynyl)azetidine
SMILESCC(C)C#CCC1CN(C)C1
InChIInChI=1S/C10H17N/c1-9(2)5-4-6-10-7-11(3)8-10/h9-10H,6-8H2,1-3H3
InChIKeyULQKUKJNGKBNTD-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.60
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

N,N-dimethyl-1-[1-(5-methylhex-3-ynyl)piperidin-4-yl]methanamine
CID 142616104
3-(2,2-difluoroethyl)-1-methylazetidine
CID 170595317
1-[2-(3-methylbutoxy)ethyl]-4-(4-methylhex-2-ynyl)piperidine
CID 166118357
N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine
CID 58949437
4-(1-methylpiperidin-3-yl)but-2-yn-1-amine
CID 117265147
N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine
CID 118333573
methyl-methylidene-[1-(4-methylpent-2-ynyl)pyrrolidin-3-yl]-λ4-sulfane
CID 178104354
1-[1-(4-methylpentyl)piperidin-4-yl]-4-(4-methylpent-2-ynyl)piperazine
CID 177125916
1-(3-methylbut-1-ynyl)azetidin-3-amine
CID 176599603
4,9-dimethyldeca-2,7-diyne
CID 173015468
(3S,5R)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
CID 134236222
(3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
CID 134236161

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpent-2-ynyl)azetidine?
The IUPAC name of 1-methyl-3-(4-methylpent-2-ynyl)azetidine (CID 176599152) is 1-methyl-3-(4-methylpent-2-ynyl)azetidine.
What is the SMILES notation for 1-methyl-3-(4-methylpent-2-ynyl)azetidine?
The canonical SMILES for 1-methyl-3-(4-methylpent-2-ynyl)azetidine is CC(C)C#CCC1CN(C)C1.
What is the InChIKey of 1-methyl-3-(4-methylpent-2-ynyl)azetidine?
The InChIKey is ULQKUKJNGKBNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(2)5-4-6-10-7-11(3)8-10/h9-10H,6-8H2,1-3H3.
What are the key properties of 1-methyl-3-(4-methylpent-2-ynyl)azetidine?
1-methyl-3-(4-methylpent-2-ynyl)azetidine has a molecular weight of 151.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpent-2-ynyl)azetidine is sourced from PubChem (CID 176599152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).