N'-methoxypropane-1,3-diamine

C4H12N2O — CID 19100836

IUPACN'-methoxypropane-1,3-diamine
SMILESCONCCCN
InChIInChI=1S/C4H12N2O/c1-7-6-4-2-3-5/h6H,2-5H2,1H3
InChIKeyQIKFCASSTVZGHB-UHFFFAOYSA-N
MW104.15 g/mol
LogP-0.51
Rot. Bonds4

About N'-methoxypropane-1,3-diamine

N'-methoxypropane-1,3-diamine (PubChem CID 19100836) has the molecular formula C4H12N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is N'-methoxypropane-1,3-diamine.

Molecular Properties

Compound NameN'-methoxypropane-1,3-diamine
PubChem CID19100836
Molecular FormulaC4H12N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC NameN'-methoxypropane-1,3-diamine
SMILESCONCCCN
InChIInChI=1S/C4H12N2O/c1-7-6-4-2-3-5/h6H,2-5H2,1H3
InChIKeyQIKFCASSTVZGHB-UHFFFAOYSA-N
XLogP-0.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-Ethoxypropane-1,3-diamine
CID 3018228
Methoxy(propan-2-YL)amine
CID 12651820
1-Propanamine, N-methoxy-
CID 11815284
Butyl(methoxy)amine
CID 12651819
N-methoxy-2-methylpropan-1-amine
CID 17885866
N-ethoxypropan-1-amine
CID 18936580
2-(3-(Aminopropyl)amino)methanol
CID 20349732
N-propoxypropan-1-amine
CID 20470531
N-propoxyethanamine
CID 53968086
(3-Aminopropyl)(methoxy)amine hydrochloride
CID 122360475
3-Azido-1-methoxyaminopropane hydrochloride
CID 132277569
3-fluoro-N-methoxypropan-1-amine
CID 81106951

Frequently Asked Questions

What is the IUPAC name of N'-methoxypropane-1,3-diamine?
The IUPAC name of N'-methoxypropane-1,3-diamine (CID 19100836) is N'-methoxypropane-1,3-diamine.
What is the SMILES notation for N'-methoxypropane-1,3-diamine?
The canonical SMILES for N'-methoxypropane-1,3-diamine is CONCCCN.
What is the InChIKey of N'-methoxypropane-1,3-diamine?
The InChIKey is QIKFCASSTVZGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O/c1-7-6-4-2-3-5/h6H,2-5H2,1H3.
What are the key properties of N'-methoxypropane-1,3-diamine?
N'-methoxypropane-1,3-diamine has a molecular weight of 104.15 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxypropane-1,3-diamine is sourced from PubChem (CID 19100836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).