N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine

C12H24N2O — CID 115244358

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine
SMILESNCC1(CNCCC2CCOCC2)CC1
InChIInChI=1S/C12H24N2O/c13-9-12(4-5-12)10-14-6-1-11-2-7-15-8-3-11/h11,14H,1-10,13H2
InChIKeyMWJIARAYTRKQRH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.13
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine (PubChem CID 115244358) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine
PubChem CID115244358
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine
SMILESNCC1(CNCCC2CCOCC2)CC1
InChIInChI=1S/C12H24N2O/c13-9-12(4-5-12)10-14-6-1-11-2-7-15-8-3-11/h11,14H,1-10,13H2
InChIKeyMWJIARAYTRKQRH-UHFFFAOYSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115245941
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-cyclopentylethanamine
CID 115249593
[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
CID 65391768
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 115438163
[2-(oxan-4-yl)ethylamino]methanethiol
CID 115228335
3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214330
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
CID 115244264
2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine
CID 115203437
3-[2-(oxan-4-yl)ethylamino]propane-1-thiol
CID 115225191
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine
CID 115244778
1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 102672319
N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 104931979

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine (CID 115244358) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine is NCC1(CNCCC2CCOCC2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine?
The InChIKey is MWJIARAYTRKQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-9-12(4-5-12)10-14-6-1-11-2-7-15-8-3-11/h11,14H,1-10,13H2.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115244358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).