N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine

C24H39N — CID 123488757

IUPACN-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine
SMILESC=C(C)C(=CC=C(C)CC)N(CCCC)C(=CC=C(C)CC)C(=C)C
InChIInChI=1S/C24H39N/c1-10-13-18-25(23(19(4)5)16-14-21(8)11-2)24(20(6)7)17-15-22(9)12-3/h14-17H,4,6,10-13,18H2,1-3,5,7-9H3
InChIKeyCNJSYTZCCVQFCB-UHFFFAOYSA-N
MW341.58 g/mol
LogP7.72
Rot. Bonds11

About N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine

N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine (PubChem CID 123488757) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine.

Molecular Properties

Compound NameN-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine
PubChem CID123488757
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC NameN-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine
SMILESC=C(C)C(=CC=C(C)CC)N(CCCC)C(=CC=C(C)CC)C(=C)C
InChIInChI=1S/C24H39N/c1-10-13-18-25(23(19(4)5)16-14-21(8)11-2)24(20(6)7)17-15-22(9)12-3/h14-17H,4,6,10-13,18H2,1-3,5,7-9H3
InChIKeyCNJSYTZCCVQFCB-UHFFFAOYSA-N
XLogP7.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 89299112
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CID 135266313
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CID 144717287
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CID 146385505
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CID 146669125
CID 146669125
CID 163475037
CID 163475037
CID 596224
CID 596224
CID 11239022
CID 11239022
CID 15400415
CID 15400415
CID 129814678
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CID 142309136
CID 142309136

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine?
The IUPAC name of N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine (CID 123488757) is N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine.
What is the SMILES notation for N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine?
The canonical SMILES for N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine is C=C(C)C(=CC=C(C)CC)N(CCCC)C(=CC=C(C)CC)C(=C)C.
What is the InChIKey of N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine?
The InChIKey is CNJSYTZCCVQFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N/c1-10-13-18-25(23(19(4)5)16-14-21(8)11-2)24(20(6)7)17-15-22(9)12-3/h14-17H,4,6,10-13,18H2,1-3,5,7-9H3.
What are the key properties of N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine?
N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine has a molecular weight of 341.58 g/mol, XLogP of 7.72, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,6-dimethylocta-1,3,5-trien-3-yl)-2,6-dimethylocta-1,3,5-trien-3-amine is sourced from PubChem (CID 123488757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).