6-methyl-1-prop-2-ynyl-1,4-diazepane

C9H16N2 — CID 130948165

IUPAC6-methyl-1-prop-2-ynyl-1,4-diazepane
SMILESC#CCN1CCNCC(C)C1
InChIInChI=1S/C9H16N2/c1-3-5-11-6-4-10-7-9(2)8-11/h1,9-10H,4-8H2,2H3
InChIKeyREHXIMVDKKNNRG-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.16
Rot. Bonds1

About 6-methyl-1-prop-2-ynyl-1,4-diazepane

6-methyl-1-prop-2-ynyl-1,4-diazepane (PubChem CID 130948165) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-methyl-1-prop-2-ynyl-1,4-diazepane.

Molecular Properties

Compound Name6-methyl-1-prop-2-ynyl-1,4-diazepane
PubChem CID130948165
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6-methyl-1-prop-2-ynyl-1,4-diazepane
SMILESC#CCN1CCNCC(C)C1
InChIInChI=1S/C9H16N2/c1-3-5-11-6-4-10-7-9(2)8-11/h1,9-10H,4-8H2,2H3
InChIKeyREHXIMVDKKNNRG-UHFFFAOYSA-N
XLogP0.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-prop-2-ynylpiperazine
CID 64926095
1-(6-methyl-1,4-diazepan-1-yl)but-3-yn-1-one
CID 130655199
1-(2,3-dimethylbutyl)-6-methyl-1,4-diazepane
CID 64599289
2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol
CID 130979491
6-methyl-1-(5,5,5-trifluoropentyl)-1,4-diazepane
CID 115521968
6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane
CID 107420452
(3S)-3-propan-2-yl-1-prop-2-ynylpiperazine
CID 130735647
1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
CID 130992420
6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
CID 62824558
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 63293537
3-[(6-methyl-1,4-diazepan-1-yl)methyl]-1,2,5-thiadiazole
CID 130942598
6-methyl-1-(2-phenoxyethyl)-1,4-diazepane
CID 55017624

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-prop-2-ynyl-1,4-diazepane?
The IUPAC name of 6-methyl-1-prop-2-ynyl-1,4-diazepane (CID 130948165) is 6-methyl-1-prop-2-ynyl-1,4-diazepane.
What is the SMILES notation for 6-methyl-1-prop-2-ynyl-1,4-diazepane?
The canonical SMILES for 6-methyl-1-prop-2-ynyl-1,4-diazepane is C#CCN1CCNCC(C)C1.
What is the InChIKey of 6-methyl-1-prop-2-ynyl-1,4-diazepane?
The InChIKey is REHXIMVDKKNNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-11-6-4-10-7-9(2)8-11/h1,9-10H,4-8H2,2H3.
What are the key properties of 6-methyl-1-prop-2-ynyl-1,4-diazepane?
6-methyl-1-prop-2-ynyl-1,4-diazepane has a molecular weight of 152.24 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-prop-2-ynyl-1,4-diazepane is sourced from PubChem (CID 130948165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).