N-methoxybutan-1-amine

C5H13NO — CID 12651819

IUPACN-methoxybutan-1-amine
SMILESCCCCNOC
InChIInChI=1S/C5H13NO/c1-3-4-5-6-7-2/h6H,3-5H2,1-2H3
InChIKeyODTCWJCBBOSHSH-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.94
Rot. Bonds4

About N-methoxybutan-1-amine

N-methoxybutan-1-amine (PubChem CID 12651819) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is N-methoxybutan-1-amine.

Molecular Properties

Compound NameN-methoxybutan-1-amine
PubChem CID12651819
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC NameN-methoxybutan-1-amine
SMILESCCCCNOC
InChIInChI=1S/C5H13NO/c1-3-4-5-6-7-2/h6H,3-5H2,1-2H3
InChIKeyODTCWJCBBOSHSH-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butylhydroxylamine hydrochloride
CID 12355440
N-Hydroxy-1-butanamine
CID 10034579
Ethanamine, N-ethoxy-
CID 99453
(2,2-Dimethylpropyl)(methoxy)amine
CID 82711530
Methoxy(propan-2-YL)amine
CID 12651820
Ethyl(methoxy)amine
CID 14975831
(Butan-2-yl)(methoxy)amine hydrochloride
CID 71756556
Methoxy(propan-2-yl)amine hydrochloride
CID 71756557
1-Propanamine, N-methoxy-
CID 11815284
N-methoxy-2-methylpropan-1-amine
CID 17885866
N-ethoxypropan-1-amine
CID 18936580
(3-Aminopropyl)(methoxy)amine
CID 19100836

Frequently Asked Questions

What is the IUPAC name of N-methoxybutan-1-amine?
The IUPAC name of N-methoxybutan-1-amine (CID 12651819) is N-methoxybutan-1-amine.
What is the SMILES notation for N-methoxybutan-1-amine?
The canonical SMILES for N-methoxybutan-1-amine is CCCCNOC.
What is the InChIKey of N-methoxybutan-1-amine?
The InChIKey is ODTCWJCBBOSHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-3-4-5-6-7-2/h6H,3-5H2,1-2H3.
What are the key properties of N-methoxybutan-1-amine?
N-methoxybutan-1-amine has a molecular weight of 103.16 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxybutan-1-amine is sourced from PubChem (CID 12651819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).