1-propoxy-N-propylheptan-4-amine

C13H29NO — CID 79568616

IUPAC1-propoxy-N-propylheptan-4-amine
SMILESCCCNC(CCC)CCCOCCC
InChIInChI=1S/C13H29NO/c1-4-8-13(14-10-5-2)9-7-12-15-11-6-3/h13-14H,4-12H2,1-3H3
InChIKeyHFZIISLXCJRFMQ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds11

About 1-propoxy-N-propylheptan-4-amine

1-propoxy-N-propylheptan-4-amine (PubChem CID 79568616) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-propoxy-N-propylheptan-4-amine.

Molecular Properties

Compound Name1-propoxy-N-propylheptan-4-amine
PubChem CID79568616
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name1-propoxy-N-propylheptan-4-amine
SMILESCCCNC(CCC)CCCOCCC
InChIInChI=1S/C13H29NO/c1-4-8-13(14-10-5-2)9-7-12-15-11-6-3/h13-14H,4-12H2,1-3H3
InChIKeyHFZIISLXCJRFMQ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
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-(3-butoxypropyl)heptan-4-amine
CID 115676243
1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine
CID 112590468
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
1-ethoxy-7-methyl-N-propyloctan-4-amine
CID 105127229
1-butoxy-5-methyl-N-propylhexan-3-amine
CID 115003182
N-ethyl-1-propoxyhexan-3-amine
CID 105080266
1-methoxy-N-propylhexan-3-amine
CID 61412304
1-ethoxy-N-propyloct-7-en-4-amine
CID 105153556
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
N,6-dimethyl-1-propoxyheptan-4-amine
CID 106454537
1-methoxy-N-propyldodecan-4-amine
CID 65091880
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-N-propylheptan-4-amine?
The IUPAC name of 1-propoxy-N-propylheptan-4-amine (CID 79568616) is 1-propoxy-N-propylheptan-4-amine.
What is the SMILES notation for 1-propoxy-N-propylheptan-4-amine?
The canonical SMILES for 1-propoxy-N-propylheptan-4-amine is CCCNC(CCC)CCCOCCC.
What is the InChIKey of 1-propoxy-N-propylheptan-4-amine?
The InChIKey is HFZIISLXCJRFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-8-13(14-10-5-2)9-7-12-15-11-6-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-propoxy-N-propylheptan-4-amine?
1-propoxy-N-propylheptan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-N-propylheptan-4-amine is sourced from PubChem (CID 79568616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).