3-methoxypropan-1-amine;N-methylmethanamine

C6H18N2O — CID 175098643

IUPAC3-methoxypropan-1-amine;N-methylmethanamine
SMILESCNC.COCCCN
InChIInChI=1S/C4H11NO.C2H7N/c1-6-4-2-3-5;1-3-2/h2-5H2,1H3;3H,1-2H3
InChIKeyCVTVCQDQBHYEAI-UHFFFAOYSA-N
MW134.22 g/mol
LogP-0.18
Rot. Bonds3

About 3-methoxypropan-1-amine;N-methylmethanamine

3-methoxypropan-1-amine;N-methylmethanamine (PubChem CID 175098643) has the molecular formula C6H18N2O and a molecular weight of 134.22 g/mol. Its IUPAC name is 3-methoxypropan-1-amine;N-methylmethanamine.

Molecular Properties

Compound Name3-methoxypropan-1-amine;N-methylmethanamine
PubChem CID175098643
Molecular FormulaC6H18N2O
Molecular Weight134.22 g/mol
Exact Mass134.14
IUPAC Name3-methoxypropan-1-amine;N-methylmethanamine
SMILESCNC.COCCCN
InChIInChI=1S/C4H11NO.C2H7N/c1-6-4-2-3-5;1-3-2/h2-5H2,1H3;3H,1-2H3
InChIKeyCVTVCQDQBHYEAI-UHFFFAOYSA-N
XLogP-0.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 5-0.18
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

azane;3-methoxypropan-1-amine
CID 172866087
methane;7-methoxyheptan-1-amine
CID 160693233
6-methoxyhexan-1-amine;molecular hydrogen
CID 142390848
1,2-dimethoxyethane;N-methylmethanamine
CID 175177446
1-methoxybutane;N-methylmethanamine
CID 144512984
CID 87425929
CID 87425929
4-(3-methoxypropylsulfanyl)butan-1-amine
CID 63856674
2-(3-methoxypropoxy)ethanamine;hydrochloride
CID 86645457
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
N'-(2-methoxyethoxy)ethane-1,2-diamine
CID 130589028
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropan-1-amine;N-methylmethanamine?
The IUPAC name of 3-methoxypropan-1-amine;N-methylmethanamine (CID 175098643) is 3-methoxypropan-1-amine;N-methylmethanamine.
What is the SMILES notation for 3-methoxypropan-1-amine;N-methylmethanamine?
The canonical SMILES for 3-methoxypropan-1-amine;N-methylmethanamine is CNC.COCCCN.
What is the InChIKey of 3-methoxypropan-1-amine;N-methylmethanamine?
The InChIKey is CVTVCQDQBHYEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C2H7N/c1-6-4-2-3-5;1-3-2/h2-5H2,1H3;3H,1-2H3.
What are the key properties of 3-methoxypropan-1-amine;N-methylmethanamine?
3-methoxypropan-1-amine;N-methylmethanamine has a molecular weight of 134.22 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropan-1-amine;N-methylmethanamine is sourced from PubChem (CID 175098643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).