N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine

C28H53N3 — CID 70378673

IUPACN'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine
SMILESC1=C(NCCCNCCCNC2=CCCCCCCCCC2)CCCCCCCCC1
InChIInChI=1S/C28H53N3/c1-2-6-10-14-20-27(19-13-9-5-1)30-25-17-23-29-24-18-26-31-28-21-15-11-7-3-4-8-12-16-22-28/h19,21,29-31H,1-18,20,22-26H2
InChIKeyZWGXHLZAIBYNHG-UHFFFAOYSA-N
MW431.75 g/mol
LogP7.35
Rot. Bonds10

About N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine

N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine (PubChem CID 70378673) has the molecular formula C28H53N3 and a molecular weight of 431.75 g/mol. Its IUPAC name is N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine
PubChem CID70378673
Molecular FormulaC28H53N3
Molecular Weight431.75 g/mol
Exact Mass431.42
IUPAC NameN'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine
SMILESC1=C(NCCCNCCCNC2=CCCCCCCCCC2)CCCCCCCCC1
InChIInChI=1S/C28H53N3/c1-2-6-10-14-20-27(19-13-9-5-1)30-25-17-23-29-24-18-26-31-28-21-15-11-7-3-4-8-12-16-22-28/h19,21,29-31H,1-18,20,22-26H2
InChIKeyZWGXHLZAIBYNHG-UHFFFAOYSA-N
XLogP7.35
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 57.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Oleyl-1,3-propanediamine
CID 6435904
Motuporamine C
CID 9818652
(Z)-N1-(Octadec-9-en-1-yl)propane-1,3-diamine xhydrochloride
CID 88836539
N'-[3-[(10Z)-1-azacyclotetradec-10-en-1-yl]propyl]propane-1,3-diamine
CID 10902959
(Z)-N-(3-Aminopropyl)-N'-9-octadecenylpropane-1,3-diamine
CID 6438215
N~1~-[3-(1-Azacyclopentadec-6-en-1-yl)propyl]propane-1,3-diamine
CID 69807557
N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine
CID 85309053
(Z)-N-(3-aminopropyl)-N'-[3-(9-octadecenylamino)propyl]propane-1,3-diamine
CID 20836174
N-(9-octadecenyl)-1,3-propylenediamine
CID 40764
N'-[3-(octadec-9-enylamino)propyl]propane-1,3-diamine
CID 120071
1,3-Propanediamine, N-9-octadecenyl-
CID 6365166
N-Linoleyl-1,3-propanediamine
CID 88396117

Frequently Asked Questions

What is the IUPAC name of N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine (CID 70378673) is N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine is C1=C(NCCCNCCCNC2=CCCCCCCCCC2)CCCCCCCCC1.
What is the InChIKey of N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine?
The InChIKey is ZWGXHLZAIBYNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53N3/c1-2-6-10-14-20-27(19-13-9-5-1)30-25-17-23-29-24-18-26-31-28-21-15-11-7-3-4-8-12-16-22-28/h19,21,29-31H,1-18,20,22-26H2.
What are the key properties of N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine?
N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine has a molecular weight of 431.75 g/mol, XLogP of 7.35, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cycloundecen-1-yl)-N-[3-(cycloundecen-1-ylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 70378673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).