N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine

C26H49N — CID 90739406

IUPACN,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine
SMILESC=CCC(=C)C1CC1CCCCCC(CC)CCC(CCC)CCNCC
InChIInChI=1S/C26H49N/c1-6-13-22(5)26-21-25(26)16-12-10-11-15-23(8-3)17-18-24(14-7-2)19-20-27-9-4/h6,23-27H,1,5,7-21H2,2-4H3
InChIKeyHORUQHNCZVTPAG-UHFFFAOYSA-N
MW375.69 g/mol
LogP7.93
Rot. Bonds19

About N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine

N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine (PubChem CID 90739406) has the molecular formula C26H49N and a molecular weight of 375.69 g/mol. Its IUPAC name is N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine.

Molecular Properties

Compound NameN,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine
PubChem CID90739406
Molecular FormulaC26H49N
Molecular Weight375.69 g/mol
Exact Mass375.39
IUPAC NameN,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine
SMILESC=CCC(=C)C1CC1CCCCCC(CC)CCC(CCC)CCNCC
InChIInChI=1S/C26H49N/c1-6-13-22(5)26-21-25(26)16-12-10-11-15-23(8-3)17-18-24(14-7-2)19-20-27-9-4/h6,23-27H,1,5,7-21H2,2-4H3
InChIKeyHORUQHNCZVTPAG-UHFFFAOYSA-N
XLogP7.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.69
LogP ≤ 57.93
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

5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine
CID 166976507
N-(fluoromethyl)-1-[2-(3-methylideneocta-1,6,7-trien-2-yl)cyclopropyl]methanamine
CID 169992431
2,2-Diallylazacyclotridecane
CID 3640984
(2R,3S,5S,6R)-2-deca-3,4,9-trienyl-3,5-dimethyl-6-(2-methylprop-2-enyl)piperidine
CID 134951790
3-Allylazacyclotridecane
CID 145865699
N-ethyl-2-methyldec-9-en-1-amine
CID 17824884
2-ethyl-N-methylundec-10-en-1-amine
CID 17824889
2-ethyl-N-methyloct-7-en-1-amine
CID 17824985
N,2-diethyldec-9-en-1-amine
CID 17825129
N,2-dimethylundec-10-en-1-amine
CID 17825225
N-ethyl-2-methylnon-8-en-1-amine
CID 17825241
N-butyl-2-methylundec-10-en-2-amine
CID 53799285

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine?
The IUPAC name of N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine (CID 90739406) is N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine.
What is the SMILES notation for N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine?
The canonical SMILES for N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine is C=CCC(=C)C1CC1CCCCCC(CC)CCC(CCC)CCNCC.
What is the InChIKey of N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine?
The InChIKey is HORUQHNCZVTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N/c1-6-13-22(5)26-21-25(26)16-12-10-11-15-23(8-3)17-18-24(14-7-2)19-20-27-9-4/h6,23-27H,1,5,7-21H2,2-4H3.
What are the key properties of N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine?
N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine has a molecular weight of 375.69 g/mol, XLogP of 7.93, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-11-(2-penta-1,4-dien-2-ylcyclopropyl)-3-propylundecan-1-amine is sourced from PubChem (CID 90739406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).