4-(3-methylbutoxy)-N-propylpentan-1-amine

C13H29NO — CID 62445161

IUPAC4-(3-methylbutoxy)-N-propylpentan-1-amine
SMILESCCCNCCCC(C)OCCC(C)C
InChIInChI=1S/C13H29NO/c1-5-9-14-10-6-7-13(4)15-11-8-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyQNYYVJOQSGXFCA-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds10

About 4-(3-methylbutoxy)-N-propylpentan-1-amine

4-(3-methylbutoxy)-N-propylpentan-1-amine (PubChem CID 62445161) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-propylpentan-1-amine
PubChem CID62445161
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4-(3-methylbutoxy)-N-propylpentan-1-amine
SMILESCCCNCCCC(C)OCCC(C)C
InChIInChI=1S/C13H29NO/c1-5-9-14-10-6-7-13(4)15-11-8-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyQNYYVJOQSGXFCA-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
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

4-ethoxy-N-propylpentan-1-amine
CID 62446191
4-(2-butoxyethoxy)-N-propylpentan-1-amine
CID 55078093
4-pent-4-enoxy-N-propylpentan-1-amine
CID 79114922
3-butan-2-yloxy-N-propylpropan-1-amine
CID 62453797
N-(2-octan-2-yloxyethyl)pentan-1-amine
CID 55194379
4-octan-2-yloxy-N-propylpentan-1-amine
CID 55078052
3-propoxy-N-(3-propoxybutyl)butan-1-amine
CID 88850441
N-(2-pentan-2-yloxyethyl)hexan-1-amine
CID 102987397
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-propylpentan-1-amine?
The IUPAC name of 4-(3-methylbutoxy)-N-propylpentan-1-amine (CID 62445161) is 4-(3-methylbutoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 4-(3-methylbutoxy)-N-propylpentan-1-amine?
The canonical SMILES for 4-(3-methylbutoxy)-N-propylpentan-1-amine is CCCNCCCC(C)OCCC(C)C.
What is the InChIKey of 4-(3-methylbutoxy)-N-propylpentan-1-amine?
The InChIKey is QNYYVJOQSGXFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-9-14-10-6-7-13(4)15-11-8-12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-(3-methylbutoxy)-N-propylpentan-1-amine?
4-(3-methylbutoxy)-N-propylpentan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 62445161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).