N'-octoxy-N'-propylpropane-1,3-diamine

C14H32N2O — CID 130365569

IUPACN'-octoxy-N'-propylpropane-1,3-diamine
SMILESCCCCCCCCON(CCC)CCCN
InChIInChI=1S/C14H32N2O/c1-3-5-6-7-8-9-14-17-16(12-4-2)13-10-11-15/h3-15H2,1-2H3
InChIKeyZXIIUSUGMKTYAO-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.34
Rot. Bonds13

About N'-octoxy-N'-propylpropane-1,3-diamine

N'-octoxy-N'-propylpropane-1,3-diamine (PubChem CID 130365569) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N'-octoxy-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-octoxy-N'-propylpropane-1,3-diamine
PubChem CID130365569
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN'-octoxy-N'-propylpropane-1,3-diamine
SMILESCCCCCCCCON(CCC)CCCN
InChIInChI=1S/C14H32N2O/c1-3-5-6-7-8-9-14-17-16(12-4-2)13-10-11-15/h3-15H2,1-2H3
InChIKeyZXIIUSUGMKTYAO-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-octadecyl-N-propoxyoctadecan-1-amine
CID 22019862
N',N'-dimethylpropane-1,3-diamine;docosane
CID 174425037
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
4-nonoxybutan-1-amine
CID 139664551
N-dodecyl-N-ethoxydodecan-1-amine
CID 152741413
2-[dodecoxy(ethyl)amino]ethanol
CID 19017012
(9Z,12Z)-N-[4-(dimethylamino)butoxy]-N-[(9Z,12Z)-octadeca-9,12-dienyl]octadeca-9,12-dien-1-amine
CID 139508900
N,N-dimethyl-N'-[(9Z,12Z)-octadeca-9,12-dienoxy]-N'-[(9Z,12Z)-octadeca-9,12-dienyl]butane-1,4-diamine
CID 139508918
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
N,N-didecoxybutan-1-amine
CID 57054979

Frequently Asked Questions

What is the IUPAC name of N'-octoxy-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-octoxy-N'-propylpropane-1,3-diamine (CID 130365569) is N'-octoxy-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-octoxy-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-octoxy-N'-propylpropane-1,3-diamine is CCCCCCCCON(CCC)CCCN.
What is the InChIKey of N'-octoxy-N'-propylpropane-1,3-diamine?
The InChIKey is ZXIIUSUGMKTYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-3-5-6-7-8-9-14-17-16(12-4-2)13-10-11-15/h3-15H2,1-2H3.
What are the key properties of N'-octoxy-N'-propylpropane-1,3-diamine?
N'-octoxy-N'-propylpropane-1,3-diamine has a molecular weight of 244.42 g/mol, XLogP of 3.34, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-octoxy-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 130365569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).