4-methoxy-N-propylheptan-1-amine

C11H25NO — CID 102547572

IUPAC4-methoxy-N-propylheptan-1-amine
SMILESCCCNCCCC(CCC)OC
InChIInChI=1S/C11H25NO/c1-4-7-11(13-3)8-6-10-12-9-5-2/h11-12H,4-10H2,1-3H3
InChIKeyJYGRRDVSHFGHRD-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds9

About 4-methoxy-N-propylheptan-1-amine

4-methoxy-N-propylheptan-1-amine (PubChem CID 102547572) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-methoxy-N-propylheptan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-propylheptan-1-amine
PubChem CID102547572
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-methoxy-N-propylheptan-1-amine
SMILESCCCNCCCC(CCC)OC
InChIInChI=1S/C11H25NO/c1-4-7-11(13-3)8-6-10-12-9-5-2/h11-12H,4-10H2,1-3H3
InChIKeyJYGRRDVSHFGHRD-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
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

(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine
CID 97035365
2-[[(4R)-4-methoxyheptyl]amino]ethanol
CID 97035434
(4S)-4-methoxy-N-propan-2-ylheptan-1-amine
CID 97035439
1-chloro-4-methoxyheptane
CID 102547593
2-methoxy-N-propylbutan-1-amine
CID 62446369
4-methoxy-N-pentylpentan-1-amine
CID 70456658
4-ethoxy-N-propylpentan-1-amine
CID 62446191
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
3-methoxysilyl-N-propylpropan-1-amine
CID 123623979
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
4-octan-2-yloxy-N-propylpentan-1-amine
CID 55078052
N'-butyl-N-propylethane-1,2-diamine
CID 54806979

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propylheptan-1-amine?
The IUPAC name of 4-methoxy-N-propylheptan-1-amine (CID 102547572) is 4-methoxy-N-propylheptan-1-amine.
What is the SMILES notation for 4-methoxy-N-propylheptan-1-amine?
The canonical SMILES for 4-methoxy-N-propylheptan-1-amine is CCCNCCCC(CCC)OC.
What is the InChIKey of 4-methoxy-N-propylheptan-1-amine?
The InChIKey is JYGRRDVSHFGHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-7-11(13-3)8-6-10-12-9-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-methoxy-N-propylheptan-1-amine?
4-methoxy-N-propylheptan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propylheptan-1-amine is sourced from PubChem (CID 102547572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).