N-methyl-3-propoxypropan-1-amine;molecular hydrogen

C7H19NO — CID 156802558

IUPACN-methyl-3-propoxypropan-1-amine;molecular hydrogen
SMILESCCCOCCCNC.[H][H]
InChIInChI=1S/C7H17NO.H2/c1-3-6-9-7-4-5-8-2;/h8H,3-7H2,1-2H3;1H
InChIKeyXOWZYWNWXNFOTR-UHFFFAOYSA-N
MW133.24 g/mol
LogP1.27
Rot. Bonds6

About N-methyl-3-propoxypropan-1-amine;molecular hydrogen

N-methyl-3-propoxypropan-1-amine;molecular hydrogen (PubChem CID 156802558) has the molecular formula C7H19NO and a molecular weight of 133.24 g/mol. Its IUPAC name is N-methyl-3-propoxypropan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-3-propoxypropan-1-amine;molecular hydrogen
PubChem CID156802558
Molecular FormulaC7H19NO
Molecular Weight133.24 g/mol
Exact Mass133.15
IUPAC NameN-methyl-3-propoxypropan-1-amine;molecular hydrogen
SMILESCCCOCCCNC.[H][H]
InChIInChI=1S/C7H17NO.H2/c1-3-6-9-7-4-5-8-2;/h8H,3-7H2,1-2H3;1H
InChIKeyXOWZYWNWXNFOTR-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
CID 155331327
1,4-dipropoxybutane;N-methylpentadecan-1-amine
CID 161325834
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 129308437
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
1-butoxybutane;N-methylmethanamine
CID 88830911
azane;1-propoxybutane
CID 87292575
methane;1-propoxybutane
CID 162202436
ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
CID 166139470
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
N-methyl-2-octadecoxyethanamine
CID 175550654

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propoxypropan-1-amine;molecular hydrogen?
The IUPAC name of N-methyl-3-propoxypropan-1-amine;molecular hydrogen (CID 156802558) is N-methyl-3-propoxypropan-1-amine;molecular hydrogen.
What is the SMILES notation for N-methyl-3-propoxypropan-1-amine;molecular hydrogen?
The canonical SMILES for N-methyl-3-propoxypropan-1-amine;molecular hydrogen is CCCOCCCNC.[H][H].
What is the InChIKey of N-methyl-3-propoxypropan-1-amine;molecular hydrogen?
The InChIKey is XOWZYWNWXNFOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.H2/c1-3-6-9-7-4-5-8-2;/h8H,3-7H2,1-2H3;1H.
What are the key properties of N-methyl-3-propoxypropan-1-amine;molecular hydrogen?
N-methyl-3-propoxypropan-1-amine;molecular hydrogen has a molecular weight of 133.24 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propoxypropan-1-amine;molecular hydrogen is sourced from PubChem (CID 156802558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).