1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine

C13H26N2 — CID 103903194

IUPAC1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
SMILESCN1CCCC(NCC2(C)CCC2)CC1
InChIInChI=1S/C13H26N2/c1-13(7-4-8-13)11-14-12-5-3-9-15(2)10-6-12/h12,14H,3-11H2,1-2H3
InChIKeyZHUYETGSIYGCHC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds3

About 1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine

1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine (PubChem CID 103903194) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
PubChem CID103903194
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
SMILESCN1CCCC(NCC2(C)CCC2)CC1
InChIInChI=1S/C13H26N2/c1-13(7-4-8-13)11-14-12-5-3-9-15(2)10-6-12/h12,14H,3-11H2,1-2H3
InChIKeyZHUYETGSIYGCHC-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
CID 103903498
1-methyl-N-[(1-methylcyclopropyl)methyl]piperidin-3-amine
CID 107165978
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
N-[(1-methylcyclopentyl)methyl]-1-propylpiperidin-4-amine
CID 63822212
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 103904879
1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine
CID 103903178
4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
CID 130601573
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 107270657
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride
CID 115680419

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine?
The IUPAC name of 1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine (CID 103903194) is 1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine.
What is the SMILES notation for 1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine?
The canonical SMILES for 1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine is CN1CCCC(NCC2(C)CCC2)CC1.
What is the InChIKey of 1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine?
The InChIKey is ZHUYETGSIYGCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(7-4-8-13)11-14-12-5-3-9-15(2)10-6-12/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine?
1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine is sourced from PubChem (CID 103903194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).