(Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine

C17H29N3 — CID 130457049

IUPAC(Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine
SMILESC/C=c1/nc(C(C)(C)C)[nH]/c1=C/C(=C\N)CC(C)(C)C
InChIInChI=1S/C17H29N3/c1-8-13-14(20-15(19-13)17(5,6)7)9-12(11-18)10-16(2,3)4/h8-9,11H,10,18H2,1-7H3,(H,19,20)/b12-11+,13-8+,14-9+
InChIKeyWLVCGHJLOHTUEW-MJPPZECFSA-N
MW275.44 g/mol
LogP2.57
Rot. Bonds2

About (Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine

(Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine (PubChem CID 130457049) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is (Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine
PubChem CID130457049
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name(Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine
SMILESC/C=c1/nc(C(C)(C)C)[nH]/c1=C/C(=C\N)CC(C)(C)C
InChIInChI=1S/C17H29N3/c1-8-13-14(20-15(19-13)17(5,6)7)9-12(11-18)10-16(2,3)4/h8-9,11H,10,18H2,1-7H3,(H,19,20)/b12-11+,13-8+,14-9+
InChIKeyWLVCGHJLOHTUEW-MJPPZECFSA-N
XLogP2.57
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine?
The IUPAC name of (Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine (CID 130457049) is (Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine.
What is the SMILES notation for (Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine?
The canonical SMILES for (Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine is C/C=c1/nc(C(C)(C)C)[nH]/c1=C/C(=C\N)CC(C)(C)C.
What is the InChIKey of (Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine?
The InChIKey is WLVCGHJLOHTUEW-MJPPZECFSA-N. The full InChI is InChI=1S/C17H29N3/c1-8-13-14(20-15(19-13)17(5,6)7)9-12(11-18)10-16(2,3)4/h8-9,11H,10,18H2,1-7H3,(H,19,20)/b12-11+,13-8+,14-9+.
What are the key properties of (Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine?
(Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(E)-[(4E)-2-tert-butyl-4-ethylidene-1H-imidazol-5-ylidene]methyl]-4,4-dimethylpent-1-en-1-amine is sourced from PubChem (CID 130457049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).