1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine

C14H31NO2 — CID 55095563

IUPAC1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
SMILESCCCNC(CCOC)CCOCCC(C)C
InChIInChI=1S/C14H31NO2/c1-5-9-15-14(7-10-16-4)8-12-17-11-6-13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyZBDVALVQNYQQQW-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.84
Rot. Bonds12

About 1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine

1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine (PubChem CID 55095563) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
PubChem CID55095563
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
SMILESCCCNC(CCOC)CCOCCC(C)C
InChIInChI=1S/C14H31NO2/c1-5-9-15-14(7-10-16-4)8-12-17-11-6-13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyZBDVALVQNYQQQW-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-N-propylhexan-3-amine
CID 61412304
1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine
CID 102928668
1-butoxy-5-methyl-N-propylhexan-3-amine
CID 115003182
N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
CID 115001748
6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine
CID 102928662
1-(2-methoxyethoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 102928563
1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine
CID 103149832
4-(3-methylbutoxy)-2-(propylamino)butanenitrile
CID 63029560
1-ethoxy-7-methyl-N-propyloctan-4-amine
CID 105127229
1-methoxy-N-propyldec-9-en-3-amine
CID 107008934
5-methyl-1-propoxy-N-propylhexan-2-amine
CID 62605077
1-methoxy-N-propyldodecan-4-amine
CID 65091880

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine?
The IUPAC name of 1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine (CID 55095563) is 1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine.
What is the SMILES notation for 1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine?
The canonical SMILES for 1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine is CCCNC(CCOC)CCOCCC(C)C.
What is the InChIKey of 1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine?
The InChIKey is ZBDVALVQNYQQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-9-15-14(7-10-16-4)8-12-17-11-6-13(2)3/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine?
1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine has a molecular weight of 245.41 g/mol, XLogP of 2.84, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine is sourced from PubChem (CID 55095563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).