5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine

C18H35N — CID 123827453

IUPAC5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine
SMILESCCCCCCC(CCCC1=CC1)CCC(C)NC
InChIInChI=1S/C18H35N/c1-4-5-6-7-9-17(13-12-16(2)19-3)10-8-11-18-14-15-18/h14,16-17,19H,4-13,15H2,1-3H3
InChIKeyQLOKLOSZPIFCQP-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.46
Rot. Bonds13

About 5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine

5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine (PubChem CID 123827453) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine.

Molecular Properties

Compound Name5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine
PubChem CID123827453
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine
SMILESCCCCCCC(CCCC1=CC1)CCC(C)NC
InChIInChI=1S/C18H35N/c1-4-5-6-7-9-17(13-12-16(2)19-3)10-8-11-18-14-15-18/h14,16-17,19H,4-13,15H2,1-3H3
InChIKeyQLOKLOSZPIFCQP-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyltetradecan-2-amine
CID 54073704
9-hexyl-12-octyldocosane
CID 154203078
4-ethyl-N-methyltridecan-2-amine
CID 155048996
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
6-pentyldocosane
CID 90762104
20,26-di(heptadecyl)pentatetracontane
CID 102213068
7-pentylpentacosane
CID 91214353
7-pentylheptadecane
CID 528528

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine?
The IUPAC name of 5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine (CID 123827453) is 5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine.
What is the SMILES notation for 5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine?
The canonical SMILES for 5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine is CCCCCCC(CCCC1=CC1)CCC(C)NC.
What is the InChIKey of 5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine?
The InChIKey is QLOKLOSZPIFCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-5-6-7-9-17(13-12-16(2)19-3)10-8-11-18-14-15-18/h14,16-17,19H,4-13,15H2,1-3H3.
What are the key properties of 5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine?
5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine has a molecular weight of 265.48 g/mol, XLogP of 5.46, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropen-1-yl)propyl]-N-methylundecan-2-amine is sourced from PubChem (CID 123827453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).