N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine

C22H42N2 — CID 59120187

IUPACN-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine
SMILESCCCCCCC(=C/C(C)=N/CCCCC)C=C(C)NCCCC
InChIInChI=1S/C22H42N2/c1-6-9-12-13-15-22(18-20(4)23-16-11-8-3)19-21(5)24-17-14-10-7-2/h18-19,23H,6-17H2,1-5H3/b20-18?,22-19?,24-21+
InChIKeyLWZGHYCBHXGHFY-DIKMANMWSA-N
MW334.59 g/mol
LogP6.83
Rot. Bonds15

About N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine

N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine (PubChem CID 59120187) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine.

Molecular Properties

Compound NameN-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine
PubChem CID59120187
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC NameN-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine
SMILESCCCCCCC(=C/C(C)=N/CCCCC)C=C(C)NCCCC
InChIInChI=1S/C22H42N2/c1-6-9-12-13-15-22(18-20(4)23-16-11-8-3)19-21(5)24-17-14-10-7-2/h18-19,23H,6-17H2,1-5H3/b20-18?,22-19?,24-21+
InChIKeyLWZGHYCBHXGHFY-DIKMANMWSA-N
XLogP6.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,10,18,26-Tetrazatricyclo[25.5.0.011,17]dotriaconta-1,10,12,14,16,27,29,31-octaene
CID 358337
(E)-N-[(1E,3E)-1-(3,3-difluorobutan-2-ylideneamino)hepta-1,3-dien-2-yl]-2-[(Z)-prop-1-enyl]imino-3-propylhex-3-en-1-amine
CID 169205430
N'-[7-(6-aminohexylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]hexane-1,6-diamine
CID 101917799
[6-(Ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium
CID 59120193
2,23,26,29-Tetrazabicyclo[19.9.3]tritriaconta-1,21(33),31-triene
CID 69790671
(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine
CID 91426030
[4-Ethyl-5-methylimino-11-(prop-2-enylamino)trideca-3,7,10,12-tetraen-3-yl]-methyl-methylideneazanium
CID 91589718
(5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine
CID 129058452
4-N-[(E)-1-(3-methyl-2H-pyrrol-5-yl)but-1-enyl]-2-N-pentan-2-ylhept-1-ene-2,4-diamine
CID 129171596
(7Z,9E)-7-ethyl-6-methylidene-4-methylimino-N-propan-2-yldodeca-7,9-dien-3-amine
CID 130374413
(3Z,5E,9E)-8-[(Z)-4-(butan-2-ylamino)but-2-en-2-yl]imino-N-ethyl-6-methylundeca-1,3,5,9-tetraen-2-amine
CID 132185571
(6E,8E)-7-methyl-2,3-dimethylidene-8-[(Z)-prop-1-enyl]-1-azacycloheptadeca-6,8-diene
CID 134526312

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine?
The IUPAC name of N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine (CID 59120187) is N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine.
What is the SMILES notation for N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine?
The canonical SMILES for N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine is CCCCCCC(=C/C(C)=N/CCCCC)C=C(C)NCCCC.
What is the InChIKey of N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine?
The InChIKey is LWZGHYCBHXGHFY-DIKMANMWSA-N. The full InChI is InChI=1S/C22H42N2/c1-6-9-12-13-15-22(18-20(4)23-16-11-8-3)19-21(5)24-17-14-10-7-2/h18-19,23H,6-17H2,1-5H3/b20-18?,22-19?,24-21+.
What are the key properties of N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine?
N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine has a molecular weight of 334.59 g/mol, XLogP of 6.83, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine is sourced from PubChem (CID 59120187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).