(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine

C17H29N3 — CID 135142718

IUPAC(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine
SMILESC/C=C\C(C)=c1\c(=C/N(C)C)nc(CCC(C)C)n1C
InChIInChI=1S/C17H29N3/c1-8-9-14(4)17-15(12-19(5)6)18-16(20(17)7)11-10-13(2)3/h8-9,12-13H,10-11H2,1-7H3/b9-8-,15-12+,17-14-
InChIKeyXCMFRGYJVDHKIG-NISABWIBSA-N
MW275.44 g/mol
LogP2.06
Rot. Bonds5

About (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine

(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine (PubChem CID 135142718) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine.

Molecular Properties

Compound Name(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine
PubChem CID135142718
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine
SMILESC/C=C\C(C)=c1\c(=C/N(C)C)nc(CCC(C)C)n1C
InChIInChI=1S/C17H29N3/c1-8-9-14(4)17-15(12-19(5)6)18-16(20(17)7)11-10-13(2)3/h8-9,12-13H,10-11H2,1-7H3/b9-8-,15-12+,17-14-
InChIKeyXCMFRGYJVDHKIG-NISABWIBSA-N
XLogP2.06
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine?
The IUPAC name of (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine (CID 135142718) is (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine.
What is the SMILES notation for (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine?
The canonical SMILES for (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine is C/C=C\C(C)=c1\c(=C/N(C)C)nc(CCC(C)C)n1C.
What is the InChIKey of (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine?
The InChIKey is XCMFRGYJVDHKIG-NISABWIBSA-N. The full InChI is InChI=1S/C17H29N3/c1-8-9-14(4)17-15(12-19(5)6)18-16(20(17)7)11-10-13(2)3/h8-9,12-13H,10-11H2,1-7H3/b9-8-,15-12+,17-14-.
What are the key properties of (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine?
(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine has a molecular weight of 275.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine is sourced from PubChem (CID 135142718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).