7-methyl-1-propan-2-yl-1,4-diazepane

C9H20N2 — CID 64871378

IUPAC7-methyl-1-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCNCCC1C
InChIInChI=1S/C9H20N2/c1-8(2)11-7-6-10-5-4-9(11)3/h8-10H,4-7H2,1-3H3
InChIKeyRZCKHOANYGWPHP-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds1

About 7-methyl-1-propan-2-yl-1,4-diazepane

7-methyl-1-propan-2-yl-1,4-diazepane (PubChem CID 64871378) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 7-methyl-1-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-1-propan-2-yl-1,4-diazepane
PubChem CID64871378
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name7-methyl-1-propan-2-yl-1,4-diazepane
SMILESCC(C)N1CCNCCC1C
InChIInChI=1S/C9H20N2/c1-8(2)11-7-6-10-5-4-9(11)3/h8-10H,4-7H2,1-3H3
InChIKeyRZCKHOANYGWPHP-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
CID 57463733
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
2-methyl-1-propan-2-ylazepane
CID 66910895
2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82240969
7-methyl-1-(3-methylbutyl)-1,4-diazepane
CID 64870978
(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291275
(2R)-2-methyl-1-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid
CID 135347784
4-(1-propan-2-ylpyrrolidin-2-yl)piperidine
CID 66273659
(2R,4R)-2,4-dimethyl-1-propan-2-ylpiperidine
CID 176766721
(2S,4R)-2,4-dimethyl-1-propan-2-ylpiperidine
CID 177325259
2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine
CID 112546685

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-propan-2-yl-1,4-diazepane?
The IUPAC name of 7-methyl-1-propan-2-yl-1,4-diazepane (CID 64871378) is 7-methyl-1-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 7-methyl-1-propan-2-yl-1,4-diazepane?
The canonical SMILES for 7-methyl-1-propan-2-yl-1,4-diazepane is CC(C)N1CCNCCC1C.
What is the InChIKey of 7-methyl-1-propan-2-yl-1,4-diazepane?
The InChIKey is RZCKHOANYGWPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)11-7-6-10-5-4-9(11)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 7-methyl-1-propan-2-yl-1,4-diazepane?
7-methyl-1-propan-2-yl-1,4-diazepane has a molecular weight of 156.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 64871378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).