N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine

C10H22N2O — CID 115453845

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)CC1(CN)CC1
InChIInChI=1S/C10H22N2O/c1-12(6-3-7-13-2)9-10(8-11)4-5-10/h3-9,11H2,1-2H3
InChIKeyGUCTVRVWQMPKOI-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds7

About N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine (PubChem CID 115453845) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine
PubChem CID115453845
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)CC1(CN)CC1
InChIInChI=1S/C10H22N2O/c1-12(6-3-7-13-2)9-10(8-11)4-5-10/h3-9,11H2,1-2H3
InChIKeyGUCTVRVWQMPKOI-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496818
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,3-dimethylbutan-1-amine
CID 115453726
[1-(4-methoxybutyl)cyclopropyl]methanamine
CID 104649416
[1-[[methoxy(methyl)amino]methyl]cyclopropyl]methanamine
CID 114396419
3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-amine
CID 64893861
3-methoxy-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]propan-1-amine
CID 63123220
3-methoxy-N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 63009367
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 55140311
1-[[3-methoxypropyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63008835
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopropan-1-amine
CID 106661140
N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 63007559

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine (CID 115453845) is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine is COCCCN(C)CC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is GUCTVRVWQMPKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-12(6-3-7-13-2)9-10(8-11)4-5-10/h3-9,11H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 115453845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).