[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine

C12H25N3O — CID 43608698

IUPAC[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine
SMILESCN1CCCN(C2(CN)CCOCC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-5-2-6-15(8-7-14)12(11-13)3-9-16-10-4-12/h2-11,13H2,1H3
InChIKeyIKPCNWBNSYLZTH-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.13
Rot. Bonds2

About [4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine

[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine (PubChem CID 43608698) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is [4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine
PubChem CID43608698
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine
SMILESCN1CCCN(C2(CN)CCOCC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-5-2-6-15(8-7-14)12(11-13)3-9-16-10-4-12/h2-11,13H2,1H3
InChIKeyIKPCNWBNSYLZTH-UHFFFAOYSA-N
XLogP0.13
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine with MolForge

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Related Compounds

[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
[4-(4-methyl-1,4-diazepan-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 28745310
[3-(azetidin-1-yl)oxolan-3-yl]methanamine
CID 84763755
[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65091393
[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
CID 43209340
[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 62987612
1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine
CID 43608746
[5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine
CID 79958749
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)oxan-4-yl]methanamine
CID 55166748
4-(4-methyl-1,4-diazepan-1-yl)oxane-4-carboxylic acid
CID 114991651
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
(1-pyrrolidin-1-ylcyclopropyl)methanamine
CID 106660987

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine (CID 43608698) is [4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine is CN1CCCN(C2(CN)CCOCC2)CC1.
What is the InChIKey of [4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine?
The InChIKey is IKPCNWBNSYLZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-5-2-6-15(8-7-14)12(11-13)3-9-16-10-4-12/h2-11,13H2,1H3.
What are the key properties of [4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine?
[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine has a molecular weight of 227.35 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 43608698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).