7-methyl-1-(2-methylpentyl)-1,4-diazepane

C12H26N2 — CID 64871379

IUPAC7-methyl-1-(2-methylpentyl)-1,4-diazepane
SMILESCCCC(C)CN1CCNCCC1C
InChIInChI=1S/C12H26N2/c1-4-5-11(2)10-14-9-8-13-7-6-12(14)3/h11-13H,4-10H2,1-3H3
InChIKeyQDXMFMSZZMKITR-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds4

About 7-methyl-1-(2-methylpentyl)-1,4-diazepane

7-methyl-1-(2-methylpentyl)-1,4-diazepane (PubChem CID 64871379) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 7-methyl-1-(2-methylpentyl)-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-1-(2-methylpentyl)-1,4-diazepane
PubChem CID64871379
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name7-methyl-1-(2-methylpentyl)-1,4-diazepane
SMILESCCCC(C)CN1CCNCCC1C
InChIInChI=1S/C12H26N2/c1-4-5-11(2)10-14-9-8-13-7-6-12(14)3/h11-13H,4-10H2,1-3H3
InChIKeyQDXMFMSZZMKITR-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-methylpentyl)-1,4-diazepane?
The IUPAC name of 7-methyl-1-(2-methylpentyl)-1,4-diazepane (CID 64871379) is 7-methyl-1-(2-methylpentyl)-1,4-diazepane.
What is the SMILES notation for 7-methyl-1-(2-methylpentyl)-1,4-diazepane?
The canonical SMILES for 7-methyl-1-(2-methylpentyl)-1,4-diazepane is CCCC(C)CN1CCNCCC1C.
What is the InChIKey of 7-methyl-1-(2-methylpentyl)-1,4-diazepane?
The InChIKey is QDXMFMSZZMKITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-5-11(2)10-14-9-8-13-7-6-12(14)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 7-methyl-1-(2-methylpentyl)-1,4-diazepane?
7-methyl-1-(2-methylpentyl)-1,4-diazepane has a molecular weight of 198.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-methylpentyl)-1,4-diazepane is sourced from PubChem (CID 64871379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).