1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine

C11H22N2O — CID 116958494

IUPAC1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1CCOCC1)C1(CN)CC1
InChIInChI=1S/C11H22N2O/c1-13-10(11(8-12)4-5-11)9-2-6-14-7-3-9/h9-10,13H,2-8,12H2,1H3
InChIKeyGHMRCZODNYESLT-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.74
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine

1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 116958494) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID116958494
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1CCOCC1)C1(CN)CC1
InChIInChI=1S/C11H22N2O/c1-13-10(11(8-12)4-5-11)9-2-6-14-7-3-9/h9-10,13H,2-8,12H2,1H3
InChIKeyGHMRCZODNYESLT-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclopentyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 104610994
1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116958211
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 116767242
3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959388
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137884
N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine
CID 63935895
[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol
CID 79138758
1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765744
[(4-ethoxyoxan-4-yl)-(oxan-4-yl)methyl]hydrazine
CID 105276815
[(1-methylcyclohexyl)-(oxan-4-yl)methyl]hydrazine
CID 106831213
1-cyclobutyl-N-methyl-1-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116958914
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 116768763

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine (CID 116958494) is 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine is CNC(C1CCOCC1)C1(CN)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is GHMRCZODNYESLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13-10(11(8-12)4-5-11)9-2-6-14-7-3-9/h9-10,13H,2-8,12H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine?
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 198.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 116958494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).