7-methyl-1-(3-methylbutyl)-1,4-diazepane

C11H24N2 — CID 64870978

IUPAC7-methyl-1-(3-methylbutyl)-1,4-diazepane
SMILESCC(C)CCN1CCNCCC1C
InChIInChI=1S/C11H24N2/c1-10(2)5-8-13-9-7-12-6-4-11(13)3/h10-12H,4-9H2,1-3H3
InChIKeyNTGZQIZAHYWICW-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.72
Rot. Bonds3

About 7-methyl-1-(3-methylbutyl)-1,4-diazepane

7-methyl-1-(3-methylbutyl)-1,4-diazepane (PubChem CID 64870978) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 7-methyl-1-(3-methylbutyl)-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-1-(3-methylbutyl)-1,4-diazepane
PubChem CID64870978
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name7-methyl-1-(3-methylbutyl)-1,4-diazepane
SMILESCC(C)CCN1CCNCCC1C
InChIInChI=1S/C11H24N2/c1-10(2)5-8-13-9-7-12-6-4-11(13)3/h10-12H,4-9H2,1-3H3
InChIKeyNTGZQIZAHYWICW-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(3-methylbutyl)piperazine
CID 64833359
7-methyl-1-(2-methylpentyl)-1,4-diazepane
CID 64871379
2-methyl-1-(4-methylpentyl)piperazine
CID 64931123
1-hexyl-7-methyl-1,4-diazepane
CID 64870586
1-(2-ethylbutyl)-7-methyl-1,4-diazepane
CID 82923996
1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane
CID 103414508
4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine
CID 82243837
7-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepane
CID 64870390
7-methyl-1-propan-2-yl-1,4-diazepane
CID 64871378
2-cyclopropyl-1-(4-methylpentyl)piperazine
CID 83169348
6-methyl-1-(3-methylbutyl)piperidin-3-amine
CID 61238617
(3aR,6aR)-1-(3-methylbutyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 124825494

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(3-methylbutyl)-1,4-diazepane?
The IUPAC name of 7-methyl-1-(3-methylbutyl)-1,4-diazepane (CID 64870978) is 7-methyl-1-(3-methylbutyl)-1,4-diazepane.
What is the SMILES notation for 7-methyl-1-(3-methylbutyl)-1,4-diazepane?
The canonical SMILES for 7-methyl-1-(3-methylbutyl)-1,4-diazepane is CC(C)CCN1CCNCCC1C.
What is the InChIKey of 7-methyl-1-(3-methylbutyl)-1,4-diazepane?
The InChIKey is NTGZQIZAHYWICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2)5-8-13-9-7-12-6-4-11(13)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 7-methyl-1-(3-methylbutyl)-1,4-diazepane?
7-methyl-1-(3-methylbutyl)-1,4-diazepane has a molecular weight of 184.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(3-methylbutyl)-1,4-diazepane is sourced from PubChem (CID 64870978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).