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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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).