N,1-dimethoxypropan-1-amine

C5H13NO2 — CID 165031120

IUPACN,1-dimethoxypropan-1-amine
SMILESCCC(NOC)OC
InChIInChI=1S/C5H13NO2/c1-4-5(7-2)6-8-3/h5-6H,4H2,1-3H3
InChIKeyMRAZXMXOOJXUPB-UHFFFAOYSA-N
MW119.16 g/mol
LogP0.52
Rot. Bonds4

About N,1-dimethoxypropan-1-amine

N,1-dimethoxypropan-1-amine (PubChem CID 165031120) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is N,1-dimethoxypropan-1-amine.

Molecular Properties

Compound NameN,1-dimethoxypropan-1-amine
PubChem CID165031120
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC NameN,1-dimethoxypropan-1-amine
SMILESCCC(NOC)OC
InChIInChI=1S/C5H13NO2/c1-4-5(7-2)6-8-3/h5-6H,4H2,1-3H3
InChIKeyMRAZXMXOOJXUPB-UHFFFAOYSA-N
XLogP0.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

zinc bis(N-(1-methoxypropyl)carbamodithioate)
CID 175426112
2-N,4-N-bis(1-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 70412444
1-prop-2-enoxy-N-(1-prop-2-enoxypropyl)propan-1-amine
CID 87793323
N-ethyl-3-methoxy-2-methylbutan-2-amine
CID 118495888
N-(1-methoxypropyl)benzamide
CID 102478557
2-(methoxyamino)hexanoic acid
CID 103254320
1-chloro-N-methoxypropan-2-amine
CID 55298441
2-methoxy-N-(2-methoxybutyl)butan-1-amine
CID 87913992
methane;2-methoxybutane
CID 162124465
2-deuterio-2-methoxybutane
CID 59893079
N-(2-hydroxy-1-methoxyethyl)propanamide
CID 22735160
N-butyl-1-methoxybutan-1-amine
CID 88850501

Frequently Asked Questions

What is the IUPAC name of N,1-dimethoxypropan-1-amine?
The IUPAC name of N,1-dimethoxypropan-1-amine (CID 165031120) is N,1-dimethoxypropan-1-amine.
What is the SMILES notation for N,1-dimethoxypropan-1-amine?
The canonical SMILES for N,1-dimethoxypropan-1-amine is CCC(NOC)OC.
What is the InChIKey of N,1-dimethoxypropan-1-amine?
The InChIKey is MRAZXMXOOJXUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-4-5(7-2)6-8-3/h5-6H,4H2,1-3H3.
What are the key properties of N,1-dimethoxypropan-1-amine?
N,1-dimethoxypropan-1-amine has a molecular weight of 119.16 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethoxypropan-1-amine is sourced from PubChem (CID 165031120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).