N'-octadecylpropane-1,3-diamine;dihydrofluoride

C21H48F2N2 — CID 174890769

IUPACN'-octadecylpropane-1,3-diamine;dihydrofluoride
SMILESCCCCCCCCCCCCCCCCCCNCCCN.F.F
InChIInChI=1S/C21H46N2.2FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;;/h23H,2-22H2,1H3;2*1H
InChIKeyGOSOKYIKTBFYQW-UHFFFAOYSA-N
MW366.63 g/mol
LogP6.49
Rot. Bonds20

About N'-octadecylpropane-1,3-diamine;dihydrofluoride

N'-octadecylpropane-1,3-diamine;dihydrofluoride (PubChem CID 174890769) has the molecular formula C21H48F2N2 and a molecular weight of 366.63 g/mol. Its IUPAC name is N'-octadecylpropane-1,3-diamine;dihydrofluoride.

Molecular Properties

Compound NameN'-octadecylpropane-1,3-diamine;dihydrofluoride
PubChem CID174890769
Molecular FormulaC21H48F2N2
Molecular Weight366.63 g/mol
Exact Mass366.38
IUPAC NameN'-octadecylpropane-1,3-diamine;dihydrofluoride
SMILESCCCCCCCCCCCCCCCCCCNCCCN.F.F
InChIInChI=1S/C21H46N2.2FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;;/h23H,2-22H2,1H3;2*1H
InChIKeyGOSOKYIKTBFYQW-UHFFFAOYSA-N
XLogP6.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-pentyltridecane-1,13-diamine
CID 174397381
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
N'-docosylethane-1,2-diamine
CID 18783196
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-henicosylethane-1,2-diamine
CID 22930907
N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine
CID 175374912
ethane;N'-pentylbutane-1,4-diamine
CID 171066485
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371

Frequently Asked Questions

What is the IUPAC name of N'-octadecylpropane-1,3-diamine;dihydrofluoride?
The IUPAC name of N'-octadecylpropane-1,3-diamine;dihydrofluoride (CID 174890769) is N'-octadecylpropane-1,3-diamine;dihydrofluoride.
What is the SMILES notation for N'-octadecylpropane-1,3-diamine;dihydrofluoride?
The canonical SMILES for N'-octadecylpropane-1,3-diamine;dihydrofluoride is CCCCCCCCCCCCCCCCCCNCCCN.F.F.
What is the InChIKey of N'-octadecylpropane-1,3-diamine;dihydrofluoride?
The InChIKey is GOSOKYIKTBFYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N2.2FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;;/h23H,2-22H2,1H3;2*1H.
What are the key properties of N'-octadecylpropane-1,3-diamine;dihydrofluoride?
N'-octadecylpropane-1,3-diamine;dihydrofluoride has a molecular weight of 366.63 g/mol, XLogP of 6.49, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-octadecylpropane-1,3-diamine;dihydrofluoride is sourced from PubChem (CID 174890769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).