1-methyl-4-(2-methylpropyl)-1,4-diazepane

C10H22N2 — CID 58719890

IUPAC1-methyl-4-(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CN1CCCN(C)CC1
InChIInChI=1S/C10H22N2/c1-10(2)9-12-6-4-5-11(3)7-8-12/h10H,4-9H2,1-3H3
InChIKeyXTCUKAMFTTXKLI-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.28
Rot. Bonds2

About 1-methyl-4-(2-methylpropyl)-1,4-diazepane

1-methyl-4-(2-methylpropyl)-1,4-diazepane (PubChem CID 58719890) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)-1,4-diazepane
PubChem CID58719890
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-methyl-4-(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CN1CCCN(C)CC1
InChIInChI=1S/C10H22N2/c1-10(2)9-12-6-4-5-11(3)7-8-12/h10H,4-9H2,1-3H3
InChIKeyXTCUKAMFTTXKLI-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1-(2,2-difluoroethyl)-4-methyl-1,4-diazepane
CID 129297477
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
1-methyl-4-(pyrrolidin-1-ylmethyl)-1,4-diazepane
CID 18541096
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane
CID 159937529
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanimidamide
CID 43368064
N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine
CID 62038004
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)-1,4-diazepane?
The IUPAC name of 1-methyl-4-(2-methylpropyl)-1,4-diazepane (CID 58719890) is 1-methyl-4-(2-methylpropyl)-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)-1,4-diazepane?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)-1,4-diazepane is CC(C)CN1CCCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)-1,4-diazepane?
The InChIKey is XTCUKAMFTTXKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(2)9-12-6-4-5-11(3)7-8-12/h10H,4-9H2,1-3H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)-1,4-diazepane?
1-methyl-4-(2-methylpropyl)-1,4-diazepane has a molecular weight of 170.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)-1,4-diazepane is sourced from PubChem (CID 58719890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).